3-phenylpropyl 5-[[methyl-[2-(phenethylcarbamoyl)phenyl]carbamothioyl]amino]-5-oxidanylidene-pentanoate

Systemtic Name: 3-phenylpropyl 5-[[methyl-[2-(phenethylcarbamoyl)phenyl]carbamothioyl]amino]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-[[methyl-[2-(phenethylcarbamoyl)phenyl]carbamothioyl]amino]-5-oxo-pentanoate CAS Name: 5-[[[N-methyl-2-[oxo-(phenethylamino)methyl]anilino]-sulfanylidenemethyl]amino]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-[[methyl-[2-(phenethylcarbamoyl)phenyl]carbamothioyl]amino]-5-oxopentanoate Traditional Name: 5-keto-5-[[methyl-[2-(phenethylcarbamoyl)phenyl]thiocarbamoyl]amino]valeric acid 3-phenylpropyl ester Formula: C31H35N3O4S MolecularWeight: 545.6923

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1C(=O)NCCC2=CC=CC=C2)C(=S)NC(=O)CCCC(=O)OCCCC3=CC=CC=C3

Isomeric SMILES

CN(C1=CC=CC=C1C(=O)NCCC2=CC=CC=C2)C(=S)NC(=O)CCCC(=O)OCCCC3=CC=CC=C3

InChI

InChI=1S/C31H35N3O4S/c1-34(27-18-9-8-17-26(27)30(37)32-22-21-25-14-6-3-7-15-25)31(39)33-28(35)19-10-20-29(36)38-23-11-16-24-12-4-2-5-13-24/h2-9,12-15,17-18H,10-11,16,19-23H2,1H3,(H,32,37)(H,33,35,39)