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

Systemtic Name: ethyl 4-[[[2-(cyclohexylcarbamoyl)phenyl]-methyl-carbamothioyl]amino]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[[[2-(cyclohexylcarbamoyl)phenyl]-methyl-carbamothioyl]amino]-4-oxo-butanoate CAS Name: 4-[[[2-[(cyclohexylamino)-oxomethyl]-N-methylanilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[[[2-(cyclohexylcarbamoyl)phenyl]-methylcarbamothioyl]amino]-4-oxobutanoate Traditional Name: 4-[[[2-(cyclohexylcarbamoyl)phenyl]-methyl-thiocarbamoyl]amino]-4-keto-butyric acid ethyl ester Formula: C21H29N3O4S MolecularWeight: 419.53766

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O4S/c1-3-28-19(26)14-13-18(25)23-21(29)24(2)17-12-8-7-11-16(17)20(27)22-15-9-5-4-6-10-15/h7-8,11-12,15H,3-6,9-10,13-14H2,1-2H3,(H,22,27)(H,23,25,29)