phenethyl 4-[[ethyl(phenyl)carbamothioyl]amino]-4-oxidanylidene-butanoate

Systemtic Name: phenethyl 4-[[ethyl(phenyl)carbamothioyl]amino]-4-oxidanylidene-butanoate Openeye Name: phenethyl 4-[[ethyl(phenyl)carbamothioyl]amino]-4-oxo-butanoate CAS Name: 4-[[(N-ethylanilino)-sulfanylidenemethyl]amino]-4-oxobutanoic acid phenethyl ester IUPAC Name: phenethyl 4-[[ethyl(phenyl)carbamothioyl]amino]-4-oxobutanoate Traditional Name: 4-[[ethyl(phenyl)thiocarbamoyl]amino]-4-keto-butyric acid phenethyl ester Formula: C21H24N2O3S MolecularWeight: 384.49186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC=C1)C(=S)NC(=O)CCC(=O)OCCC2=CC=CC=C2

Isomeric SMILES

CCN(C1=CC=CC=C1)C(=S)NC(=O)CCC(=O)OCCC2=CC=CC=C2

InChI

InChI=1S/C21H24N2O3S/c1-2-23(18-11-7-4-8-12-18)21(27)22-19(24)13-14-20(25)26-16-15-17-9-5-3-6-10-17/h3-12H,2,13-16H2,1H3,(H,22,24,27)