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

Systemtic Name: 3-phenylpropyl 4-[[methyl-(phenylmethyl)carbamothioyl]amino]-4-oxidanylidene-butanoate Openeye Name: 3-phenylpropyl 4-[[benzyl(methyl)carbamothioyl]amino]-4-oxo-butanoate CAS Name: 4-[[[methyl-(phenylmethyl)amino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-[[benzyl(methyl)carbamothioyl]amino]-4-oxobutanoate Traditional Name: 4-[[benzyl(methyl)thiocarbamoyl]amino]-4-keto-butyric acid 3-phenylpropyl ester Formula: C22H26N2O3S MolecularWeight: 398.51844

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C(=S)NC(=O)CCC(=O)OCCCC2=CC=CC=C2

Isomeric SMILES

CN(CC1=CC=CC=C1)C(=S)NC(=O)CCC(=O)OCCCC2=CC=CC=C2

InChI

InChI=1S/C22H26N2O3S/c1-24(17-19-11-6-3-7-12-19)22(28)23-20(25)14-15-21(26)27-16-8-13-18-9-4-2-5-10-18/h2-7,9-12H,8,13-17H2,1H3,(H,23,25,28)