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

Systemtic Name: 3-phenylpropyl 4-[[methyl-[2-(phenethylcarbamoyl)phenyl]carbamothioyl]amino]-4-oxidanylidene-butanoate Openeye Name: 3-phenylpropyl 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 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-[[methyl-[2-(phenethylcarbamoyl)phenyl]carbamothioyl]amino]-4-oxobutanoate Traditional Name: 4-keto-4-[[methyl-[2-(phenethylcarbamoyl)phenyl]thiocarbamoyl]amino]butyric acid 3-phenylpropyl ester Formula: C30H33N3O4S MolecularWeight: 531.66572

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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)OCCCC3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C30H33N3O4S/c1-33(26-17-9-8-16-25(26)29(36)31-21-20-24-13-6-3-7-14-24)30(38)32-27(34)18-19-28(35)37-22-10-15-23-11-4-2-5-12-23/h2-9,11-14,16-17H,10,15,18-22H2,1H3,(H,31,36)(H,32,34,38)