phenethyl 4-[[methyl-(phenylmethyl)carbamothioyl]amino]-4-oxidanylidene-butanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C(=S)NC(=O)CCC(=O)OCCC2=CC=CC=C2

Isomeric SMILES

CN(CC1=CC=CC=C1)C(=S)NC(=O)CCC(=O)OCCC2=CC=CC=C2

InChI

InChI=1S/C21H24N2O3S/c1-23(16-18-10-6-3-7-11-18)21(27)22-19(24)12-13-20(25)26-15-14-17-8-4-2-5-9-17/h2-11H,12-16H2,1H3,(H,22,24,27)