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

Systemtic Name: 3-phenylpropyl 5-[[[2-(cyclohexylcarbamoyl)phenyl]-methyl-carbamothioyl]amino]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-[[[2-(cyclohexylcarbamoyl)phenyl]-methyl-carbamothioyl]amino]-5-oxo-pentanoate CAS Name: 5-[[[2-[(cyclohexylamino)-oxomethyl]-N-methylanilino]-sulfanylidenemethyl]amino]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-[[[2-(cyclohexylcarbamoyl)phenyl]-methylcarbamothioyl]amino]-5-oxopentanoate Traditional Name: 5-[[[2-(cyclohexylcarbamoyl)phenyl]-methyl-thiocarbamoyl]amino]-5-keto-valeric acid 3-phenylpropyl ester Formula: C29H37N3O4S MolecularWeight: 523.68678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H37N3O4S/c1-32(25-18-9-8-17-24(25)28(35)30-23-15-6-3-7-16-23)29(37)31-26(33)19-10-20-27(34)36-21-11-14-22-12-4-2-5-13-22/h2,4-5,8-9,12-13,17-18,23H,3,6-7,10-11,14-16,19-21H2,1H3,(H,30,35)(H,31,33,37)