ethyl 4-[[4-[ethanoyl(methyl)amino]phenyl]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[[4-[ethanoyl(methyl)amino]phenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[[4-[acetyl(methyl)amino]phenyl]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[4-[acetyl(methyl)amino]anilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[[4-[acetyl(methyl)amino]phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[4-[acetyl(methyl)amino]phenyl]thiocarbamoylamino]-4-keto-butyric acid ethyl ester Formula: C16H21N3O4S MolecularWeight: 351.42064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(=O)NC(=S)NC1=CC=C(C=C1)N(C)C(=O)C

Isomeric SMILES

CCOC(=O)CCC(=O)NC(=S)NC1=CC=C(C=C1)N(C)C(=O)C

InChI

InChI=1S/C16H21N3O4S/c1-4-23-15(22)10-9-14(21)18-16(24)17-12-5-7-13(8-6-12)19(3)11(2)20/h5-8H,4,9-10H2,1-3H3,(H2,17,18,21,24)