methyl 4-[(3-benzamidophenyl)carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-[(3-benzamidophenyl)carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[(3-benzamidophenyl)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[(3-benzamidoanilino)-sulfanylidenemethyl]amino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[(3-benzamidophenyl)carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[(3-benzamidophenyl)thiocarbamoylamino]-4-keto-butyric acid methyl ester Formula: C19H19N3O4S MolecularWeight: 385.43686

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(=O)NC(=S)NC1=CC=CC(=C1)NC(=O)C2=CC=CC=C2

Isomeric SMILES

COC(=O)CCC(=O)NC(=S)NC1=CC=CC(=C1)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C19H19N3O4S/c1-26-17(24)11-10-16(23)22-19(27)21-15-9-5-8-14(12-15)20-18(25)13-6-3-2-4-7-13/h2-9,12H,10-11H2,1H3,(H,20,25)(H2,21,22,23,27)