3-phenylpropyl 5-[[3-(cyclohexylcarbamoyl)phenyl]carbamothioylamino]-5-oxidanylidene-pentanoate

Systemtic Name: 3-phenylpropyl 5-[[3-(cyclohexylcarbamoyl)phenyl]carbamothioylamino]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-[[3-(cyclohexylcarbamoyl)phenyl]carbamothioylamino]-5-oxo-pentanoate CAS Name: 5-[[[3-[(cyclohexylamino)-oxomethyl]anilino]-sulfanylidenemethyl]amino]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-[[3-(cyclohexylcarbamoyl)phenyl]carbamothioylamino]-5-oxopentanoate Traditional Name: 5-[[3-(cyclohexylcarbamoyl)phenyl]thiocarbamoylamino]-5-keto-valeric acid 3-phenylpropyl ester Formula: C28H35N3O4S MolecularWeight: 509.6602

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)C2=CC(=CC=C2)NC(=S)NC(=O)CCCC(=O)OCCCC3=CC=CC=C3

Isomeric SMILES

C1CCC(CC1)NC(=O)C2=CC(=CC=C2)NC(=S)NC(=O)CCCC(=O)OCCCC3=CC=CC=C3

InChI

InChI=1S/C28H35N3O4S/c32-25(17-8-18-26(33)35-19-9-12-21-10-3-1-4-11-21)31-28(36)30-24-16-7-13-22(20-24)27(34)29-23-14-5-2-6-15-23/h1,3-4,7,10-11,13,16,20,23H,2,5-6,8-9,12,14-15,17-19H2,(H,29,34)(H2,30,31,32,36)