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

Systemtic Name: methyl 3-[[2-(4-carbamothioylphenyl)carbonylimino-3,4-dimethyl-1,3-thiazol-5-yl]carbonylamino]propanoate Openeye Name: methyl 3-[[2-(4-carbamothioylbenzoyl)imino-3,4-dimethyl-thiazole-5-carbonyl]amino]propanoate CAS Name: 3-[[[2-[(4-carbamothioylphenyl)-oxomethyl]imino-3,4-dimethyl-5-thiazolyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[[2-(4-carbamothioylbenzoyl)imino-3,4-dimethyl-1,3-thiazole-5-carbonyl]amino]propanoate Traditional Name: 3-[[3,4-dimethyl-2-(4-thiocarbamoylbenzoyl)imino-4-thiazoline-5-carbonyl]amino]propionic acid methyl ester Formula: C18H20N4O4S2 MolecularWeight: 420.5058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=NC(=O)C2=CC=C(C=C2)C(=S)N)N1C)C(=O)NCCC(=O)OC

Isomeric SMILES

CC1=C(SC(=NC(=O)C2=CC=C(C=C2)C(=S)N)N1C)C(=O)NCCC(=O)OC

InChI

InChI=1S/C18H20N4O4S2/c1-10-14(17(25)20-9-8-13(23)26-3)28-18(22(10)2)21-16(24)12-6-4-11(5-7-12)15(19)27/h4-7H,8-9H2,1-3H3,(H2,19,27)(H,20,25)