propyl 4-[[[2-(cyclohexylcarbamoyl)phenyl]-methyl-carbamothioyl]amino]-4-oxidanylidene-butanoate

Systemtic Name: propyl 4-[[[2-(cyclohexylcarbamoyl)phenyl]-methyl-carbamothioyl]amino]-4-oxidanylidene-butanoate Openeye Name: propyl 4-[[[2-(cyclohexylcarbamoyl)phenyl]-methyl-carbamothioyl]amino]-4-oxo-butanoate CAS Name: 4-[[[2-[(cyclohexylamino)-oxomethyl]-N-methylanilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid propyl ester IUPAC Name: propyl 4-[[[2-(cyclohexylcarbamoyl)phenyl]-methylcarbamothioyl]amino]-4-oxobutanoate Traditional Name: 4-[[[2-(cyclohexylcarbamoyl)phenyl]-methyl-thiocarbamoyl]amino]-4-keto-butyric acid propyl ester Formula: C22H31N3O4S MolecularWeight: 433.56424

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)CCC(=O)NC(=S)N(C)C1=CC=CC=C1C(=O)NC2CCCCC2

Isomeric SMILES

CCCOC(=O)CCC(=O)NC(=S)N(C)C1=CC=CC=C1C(=O)NC2CCCCC2

InChI

InChI=1S/C22H31N3O4S/c1-3-15-29-20(27)14-13-19(26)24-22(30)25(2)18-12-8-7-11-17(18)21(28)23-16-9-5-4-6-10-16/h7-8,11-12,16H,3-6,9-10,13-15H2,1-2H3,(H,23,28)(H,24,26,30)