phenethyl 4-[[methyl-[2-(phenethylcarbamoyl)phenyl]carbamothioyl]amino]-4-oxidanylidene-butanoate

Systemtic Name: phenethyl 4-[[methyl-[2-(phenethylcarbamoyl)phenyl]carbamothioyl]amino]-4-oxidanylidene-butanoate Openeye Name: phenethyl 4-[[methyl-[2-(phenethylcarbamoyl)phenyl]carbamothioyl]amino]-4-oxo-butanoate CAS Name: 4-[[[N-methyl-2-[oxo-(phenethylamino)methyl]anilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid phenethyl ester IUPAC Name: phenethyl 4-[[methyl-[2-(phenethylcarbamoyl)phenyl]carbamothioyl]amino]-4-oxobutanoate Traditional Name: 4-keto-4-[[methyl-[2-(phenethylcarbamoyl)phenyl]thiocarbamoyl]amino]butyric acid phenethyl ester Formula: C29H31N3O4S MolecularWeight: 517.63914

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1C(=O)NCCC2=CC=CC=C2)C(=S)NC(=O)CCC(=O)OCCC3=CC=CC=C3

Isomeric SMILES

CN(C1=CC=CC=C1C(=O)NCCC2=CC=CC=C2)C(=S)NC(=O)CCC(=O)OCCC3=CC=CC=C3

InChI

InChI=1S/C29H31N3O4S/c1-32(25-15-9-8-14-24(25)28(35)30-20-18-22-10-4-2-5-11-22)29(37)31-26(33)16-17-27(34)36-21-19-23-12-6-3-7-13-23/h2-15H,16-21H2,1H3,(H,30,35)(H,31,33,37)