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

Systemtic Name: tert-butyl 3-[[2-[4-(iminomethylsulfanyl)phenyl]carbonylimino-4-methyl-3-tetradecyl-1,3-thiazol-5-yl]carbonylamino]propanoate Openeye Name: tert-butyl 3-[[2-(4-methanimidoylsulfanylbenzoyl)imino-4-methyl-3-tetradecyl-thiazole-5-carbonyl]amino]propanoate CAS Name: 3-[[[2-[[4-(methanimidoylthio)phenyl]-oxomethyl]imino-4-methyl-3-tetradecyl-5-thiazolyl]-oxomethyl]amino]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[[2-(4-methanimidoylsulfanylbenzoyl)imino-4-methyl-3-tetradecyl-1,3-thiazole-5-carbonyl]amino]propanoate Traditional Name: 3-[[2-[4-(formimidoylthio)benzoyl]imino-4-methyl-3-myristyl-4-thiazoline-5-carbonyl]amino]propionic acid tert-butyl ester Formula: C34H52N4O4S2 MolecularWeight: 644.93108

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCN1C(=C(SC1=NC(=O)C2=CC=C(C=C2)SC=N)C(=O)NCCC(=O)OC(C)(C)C)C

Isomeric SMILES

CCCCCCCCCCCCCCN1C(=C(SC1=NC(=O)C2=CC=C(C=C2)SC=N)C(=O)NCCC(=O)OC(C)(C)C)C

InChI

InChI=1S/C34H52N4O4S2/c1-6-7-8-9-10-11-12-13-14-15-16-17-24-38-26(2)30(32(41)36-23-22-29(39)42-34(3,4)5)44-33(38)37-31(40)27-18-20-28(21-19-27)43-25-35/h18-21,25,35H,6-17,22-24H2,1-5H3,(H,36,41)