propyl 4-[[4-chloranyl-3-(cyclohexylcarbamoyl)phenyl]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: propyl 4-[[4-chloranyl-3-(cyclohexylcarbamoyl)phenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: propyl 4-[[4-chloro-3-(cyclohexylcarbamoyl)phenyl]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[4-chloro-3-[(cyclohexylamino)-oxomethyl]anilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid propyl ester IUPAC Name: propyl 4-[[4-chloro-3-(cyclohexylcarbamoyl)phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[4-chloro-3-(cyclohexylcarbamoyl)phenyl]thiocarbamoylamino]-4-keto-butyric acid propyl ester Formula: C21H28ClN3O4S MolecularWeight: 453.98272

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)CCC(=O)NC(=S)NC1=CC(=C(C=C1)Cl)C(=O)NC2CCCCC2

Isomeric SMILES

CCCOC(=O)CCC(=O)NC(=S)NC1=CC(=C(C=C1)Cl)C(=O)NC2CCCCC2

InChI

InChI=1S/C21H28ClN3O4S/c1-2-12-29-19(27)11-10-18(26)25-21(30)24-15-8-9-17(22)16(13-15)20(28)23-14-6-4-3-5-7-14/h8-9,13-14H,2-7,10-12H2,1H3,(H,23,28)(H2,24,25,26,30)