3-phenylpropyl 4-[[methyl(phenyl)carbamothioyl]amino]-4-oxidanylidene-butanoate

Systemtic Name: 3-phenylpropyl 4-[[methyl(phenyl)carbamothioyl]amino]-4-oxidanylidene-butanoate Openeye Name: 3-phenylpropyl 4-[[methyl(phenyl)carbamothioyl]amino]-4-oxo-butanoate CAS Name: 4-[[(N-methylanilino)-sulfanylidenemethyl]amino]-4-oxobutanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-[[methyl(phenyl)carbamothioyl]amino]-4-oxobutanoate Traditional Name: 4-keto-4-[[methyl(phenyl)thiocarbamoyl]amino]butyric acid 3-phenylpropyl ester Formula: C21H24N2O3S MolecularWeight: 384.49186

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1)C(=S)NC(=O)CCC(=O)OCCCC2=CC=CC=C2

Isomeric SMILES

CN(C1=CC=CC=C1)C(=S)NC(=O)CCC(=O)OCCCC2=CC=CC=C2

InChI

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