LTI

(5Z)-5-(carbamoylimino)-3-[(5R)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylsulfanyl]-2,5-dihydroisothiazole-4-carboxamide


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Chemical Component Summary

Name(5Z)-5-(carbamoylimino)-3-[(5R)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylsulfanyl]-2,5-dihydroisothiazole-4-carboxamide
Identifiers(5Z)-5-aminocarbonylimino-3-[[(5R)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]sulfanyl]-2H-1,2-thiazole-4-carboxamide
FormulaC16 H18 N4 O2 S2
Molecular Weight362.47
TypeNON-POLYMER
Isomeric SMILESc1ccc2c(c1)CCCC[C@H]2SC3=C(/C(=N/C(=O)N)/SN3)C(=O)N
InChIInChI=1S/C16H18N4O2S2/c17-13(21)12-14(19-16(18)22)24-20-15(12)23-11-8-4-2-6-9-5-1-3-7-10(9)11/h1,3,5,7,11,20H,2,4,6,8H2,(H2,17,21)(H2,18,22)/b19-14-/t11-/m1/s1
InChIKeyBLCWVDAFBKECPI-PFMFLNCGSA-N

Chemical Details

Formal Charge0
Atom Count42
Chiral Atom Count1
Bond Count44
Aromatic Bond Count6