methyl 2-[(4-methoxyphenyl)carbonylcarbamothioylamino]-3-(phenylmethylsulfanyl)propanoate

Systemtic Name: methyl 2-[(4-methoxyphenyl)carbonylcarbamothioylamino]-3-(phenylmethylsulfanyl)propanoate Openeye Name: methyl 3-benzylsulfanyl-2-[(4-methoxybenzoyl)carbamothioylamino]propanoate CAS Name: 2-[[[[(4-methoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-3-(phenylmethylthio)propanoic acid methyl ester IUPAC Name: methyl 3-benzylsulfanyl-2-[(4-methoxybenzoyl)carbamothioylamino]propanoate Traditional Name: 3-(benzylthio)-2-(p-anisoylthiocarbamoylamino)propionic acid methyl ester Formula: C20H22N2O4S2 MolecularWeight: 418.52968

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)NC(=S)NC(CSCC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)NC(=S)NC(CSCC2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C20H22N2O4S2/c1-25-16-10-8-15(9-11-16)18(23)22-20(27)21-17(19(24)26-2)13-28-12-14-6-4-3-5-7-14/h3-11,17H,12-13H2,1-2H3,(H2,21,22,23,27)