methyl 3-[[2-(4-carbamothioylphenyl)carbonylimino-4-methyl-3-(phenylmethyl)-1,3-thiazol-5-yl]carbonylamino]propanoate

Systemtic Name: methyl 3-[[2-(4-carbamothioylphenyl)carbonylimino-4-methyl-3-(phenylmethyl)-1,3-thiazol-5-yl]carbonylamino]propanoate Openeye Name: methyl 3-[[3-benzyl-2-(4-carbamothioylbenzoyl)imino-4-methyl-thiazole-5-carbonyl]amino]propanoate CAS Name: 3-[[[2-[(4-carbamothioylphenyl)-oxomethyl]imino-4-methyl-3-(phenylmethyl)-5-thiazolyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[[3-benzyl-2-(4-carbamothioylbenzoyl)imino-4-methyl-1,3-thiazole-5-carbonyl]amino]propanoate Traditional Name: 3-[[3-benzyl-4-methyl-2-(4-thiocarbamoylbenzoyl)imino-4-thiazoline-5-carbonyl]amino]propionic acid methyl ester Formula: C24H24N4O4S2 MolecularWeight: 496.60176

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=NC(=O)C2=CC=C(C=C2)C(=S)N)N1CC3=CC=CC=C3)C(=O)NCCC(=O)OC

Isomeric SMILES

CC1=C(SC(=NC(=O)C2=CC=C(C=C2)C(=S)N)N1CC3=CC=CC=C3)C(=O)NCCC(=O)OC

InChI

InChI=1S/C24H24N4O4S2/c1-15-20(23(31)26-13-12-19(29)32-2)34-24(28(15)14-16-6-4-3-5-7-16)27-22(30)18-10-8-17(9-11-18)21(25)33/h3-11H,12-14H2,1-2H3,(H2,25,33)(H,26,31)