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

Systemtic Name: ethyl 4-[[4-chloranyl-3-(cyclohexylcarbamoyl)phenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[[4-chloro-3-(cyclohexylcarbamoyl)phenyl]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[4-chloro-3-[(cyclohexylamino)-oxomethyl]anilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[[4-chloro-3-(cyclohexylcarbamoyl)phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[4-chloro-3-(cyclohexylcarbamoyl)phenyl]thiocarbamoylamino]-4-keto-butyric acid ethyl ester Formula: C20H26ClN3O4S MolecularWeight: 439.95614

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26ClN3O4S/c1-2-28-18(26)11-10-17(25)24-20(29)23-14-8-9-16(21)15(12-14)19(27)22-13-6-4-3-5-7-13/h8-9,12-13H,2-7,10-11H2,1H3,(H,22,27)(H2,23,24,25,29)