phenethyl 4-[(3-ethanoylphenyl)carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: phenethyl 4-[(3-ethanoylphenyl)carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: phenethyl 4-[(3-acetylphenyl)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[(3-acetylanilino)-sulfanylidenemethyl]amino]-4-oxobutanoic acid phenethyl ester IUPAC Name: phenethyl 4-[(3-acetylphenyl)carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[(3-acetylphenyl)thiocarbamoylamino]-4-keto-butyric acid phenethyl ester Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O4S/c1-15(24)17-8-5-9-18(14-17)22-21(28)23-19(25)10-11-20(26)27-13-12-16-6-3-2-4-7-16/h2-9,14H,10-13H2,1H3,(H2,22,23,25,28)