tert-butyl 3-[[3-hexyl-2-[4-(iminomethylsulfanyl)phenyl]carbonylimino-4-methyl-1,3-thiazol-5-yl]carbonylamino]propanoate

Systemtic Name: tert-butyl 3-[[3-hexyl-2-[4-(iminomethylsulfanyl)phenyl]carbonylimino-4-methyl-1,3-thiazol-5-yl]carbonylamino]propanoate Openeye Name: tert-butyl 3-[[3-hexyl-2-(4-methanimidoylsulfanylbenzoyl)imino-4-methyl-thiazole-5-carbonyl]amino]propanoate CAS Name: 3-[[[3-hexyl-2-[[4-(methanimidoylthio)phenyl]-oxomethyl]imino-4-methyl-5-thiazolyl]-oxomethyl]amino]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[[3-hexyl-2-(4-methanimidoylsulfanylbenzoyl)imino-4-methyl-1,3-thiazole-5-carbonyl]amino]propanoate Traditional Name: 3-[[2-[4-(formimidoylthio)benzoyl]imino-3-hexyl-4-methyl-4-thiazoline-5-carbonyl]amino]propionic acid tert-butyl ester Formula: C26H36N4O4S2 MolecularWeight: 532.71844

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=C(SC1=NC(=O)C2=CC=C(C=C2)SC=N)C(=O)NCCC(=O)OC(C)(C)C)C

Isomeric SMILES

CCCCCCN1C(=C(SC1=NC(=O)C2=CC=C(C=C2)SC=N)C(=O)NCCC(=O)OC(C)(C)C)C

InChI

InChI=1S/C26H36N4O4S2/c1-6-7-8-9-16-30-18(2)22(24(33)28-15-14-21(31)34-26(3,4)5)36-25(30)29-23(32)19-10-12-20(13-11-19)35-17-27/h10-13,17,27H,6-9,14-16H2,1-5H3,(H,28,33)