methyl 4-[(4-acetamidophenyl)carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-[(4-acetamidophenyl)carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[(4-acetamidophenyl)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[(4-acetamidoanilino)-sulfanylidenemethyl]amino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[(4-acetamidophenyl)carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[(4-acetamidophenyl)thiocarbamoylamino]-4-keto-butyric acid methyl ester Formula: C14H17N3O4S MolecularWeight: 323.36748

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC(=S)NC(=O)CCC(=O)OC

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC(=S)NC(=O)CCC(=O)OC

InChI

InChI=1S/C14H17N3O4S/c1-9(18)15-10-3-5-11(6-4-10)16-14(22)17-12(19)7-8-13(20)21-2/h3-6H,7-8H2,1-2H3,(H,15,18)(H2,16,17,19,22)