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

Systemtic Name: ethyl 4-[[3-(cyclohexylcarbamoyl)phenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[[3-(cyclohexylcarbamoyl)phenyl]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[3-[(cyclohexylamino)-oxomethyl]anilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[[3-(cyclohexylcarbamoyl)phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[3-(cyclohexylcarbamoyl)phenyl]thiocarbamoylamino]-4-keto-butyric acid ethyl ester Formula: C20H27N3O4S MolecularWeight: 405.51108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3O4S/c1-2-27-18(25)12-11-17(24)23-20(28)22-16-10-6-7-14(13-16)19(26)21-15-8-4-3-5-9-15/h6-7,10,13,15H,2-5,8-9,11-12H2,1H3,(H,21,26)(H2,22,23,24,28)