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

Systemtic Name: phenethyl 4-[(4-ethanoylphenyl)carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: phenethyl 4-[(4-acetylphenyl)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[(4-acetylanilino)-sulfanylidenemethyl]amino]-4-oxobutanoic acid phenethyl ester IUPAC Name: phenethyl 4-[(4-acetylphenyl)carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[(4-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=C(C=C1)NC(=S)NC(=O)CCC(=O)OCCC2=CC=CC=C2

Isomeric SMILES

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

InChI

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