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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O3S/c1-2-24(19-13-7-4-8-14-19)22(28)23-20(25)15-16-21(26)27-17-9-12-18-10-5-3-6-11-18/h3-8,10-11,13-14H,2,9,12,15-17H2,1H3,(H,23,25,28)