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

Systemtic Name: methyl 4-[(3-acetamidophenyl)carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[(3-acetamidophenyl)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[(3-acetamidoanilino)-sulfanylidenemethyl]amino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[(3-acetamidophenyl)carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[(3-acetamidophenyl)thiocarbamoylamino]-4-keto-butyric acid methyl ester Formula: C14H17N3O4S MolecularWeight: 323.36748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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