3-phenylpropyl 5-[[4-chloranyl-3-(cyclohexylcarbamoyl)phenyl]carbamothioylamino]-5-oxidanylidene-pentanoate

Systemtic Name: 3-phenylpropyl 5-[[4-chloranyl-3-(cyclohexylcarbamoyl)phenyl]carbamothioylamino]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-[[4-chloro-3-(cyclohexylcarbamoyl)phenyl]carbamothioylamino]-5-oxo-pentanoate CAS Name: 5-[[[4-chloro-3-[(cyclohexylamino)-oxomethyl]anilino]-sulfanylidenemethyl]amino]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-[[4-chloro-3-(cyclohexylcarbamoyl)phenyl]carbamothioylamino]-5-oxopentanoate Traditional Name: 5-[[4-chloro-3-(cyclohexylcarbamoyl)phenyl]thiocarbamoylamino]-5-keto-valeric acid 3-phenylpropyl ester Formula: C28H34ClN3O4S MolecularWeight: 544.10526

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H34ClN3O4S/c29-24-17-16-22(19-23(24)27(35)30-21-12-5-2-6-13-21)31-28(37)32-25(33)14-7-15-26(34)36-18-8-11-20-9-3-1-4-10-20/h1,3-4,9-10,16-17,19,21H,2,5-8,11-15,18H2,(H,30,35)(H2,31,32,33,37)