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

Systemtic Name: 3-phenylpropyl 4-[[[2-(cyclohexylcarbamoyl)phenyl]-methyl-carbamothioyl]amino]-4-oxidanylidene-butanoate Openeye Name: 3-phenylpropyl 4-[[[2-(cyclohexylcarbamoyl)phenyl]-methyl-carbamothioyl]amino]-4-oxo-butanoate CAS Name: 4-[[[2-[(cyclohexylamino)-oxomethyl]-N-methylanilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-[[[2-(cyclohexylcarbamoyl)phenyl]-methylcarbamothioyl]amino]-4-oxobutanoate Traditional Name: 4-[[[2-(cyclohexylcarbamoyl)phenyl]-methyl-thiocarbamoyl]amino]-4-keto-butyric acid 3-phenylpropyl ester Formula: C28H35N3O4S MolecularWeight: 509.6602

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1C(=O)NC2CCCCC2)C(=S)NC(=O)CCC(=O)OCCCC3=CC=CC=C3

Isomeric SMILES

CN(C1=CC=CC=C1C(=O)NC2CCCCC2)C(=S)NC(=O)CCC(=O)OCCCC3=CC=CC=C3

InChI

InChI=1S/C28H35N3O4S/c1-31(24-17-9-8-16-23(24)27(34)29-22-14-6-3-7-15-22)28(36)30-25(32)18-19-26(33)35-20-10-13-21-11-4-2-5-12-21/h2,4-5,8-9,11-12,16-17,22H,3,6-7,10,13-15,18-20H2,1H3,(H,29,34)(H,30,32,36)