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

Systemtic Name: phenethyl 4-[[methyl(phenyl)carbamothioyl]amino]-4-oxidanylidene-butanoate Openeye Name: phenethyl 4-[[methyl(phenyl)carbamothioyl]amino]-4-oxo-butanoate CAS Name: 4-[[(N-methylanilino)-sulfanylidenemethyl]amino]-4-oxobutanoic acid phenethyl ester IUPAC Name: phenethyl 4-[[methyl(phenyl)carbamothioyl]amino]-4-oxobutanoate Traditional Name: 4-keto-4-[[methyl(phenyl)thiocarbamoyl]amino]butyric acid phenethyl ester Formula: C20H22N2O3S MolecularWeight: 370.46528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O3S/c1-22(17-10-6-3-7-11-17)20(26)21-18(23)12-13-19(24)25-15-14-16-8-4-2-5-9-16/h2-11H,12-15H2,1H3,(H,21,23,26)