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

Systemtic Name: 2-methoxyethyl 4-[[4-chloranyl-3-(cyclohexylcarbamoyl)phenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: 2-methoxyethyl 4-[[4-chloro-3-(cyclohexylcarbamoyl)phenyl]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[4-chloro-3-[(cyclohexylamino)-oxomethyl]anilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 4-[[4-chloro-3-(cyclohexylcarbamoyl)phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[4-chloro-3-(cyclohexylcarbamoyl)phenyl]thiocarbamoylamino]-4-keto-butyric acid 2-methoxyethyl ester Formula: C21H28ClN3O5S MolecularWeight: 469.98212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28ClN3O5S/c1-29-11-12-30-19(27)10-9-18(26)25-21(31)24-15-7-8-17(22)16(13-15)20(28)23-14-5-3-2-4-6-14/h7-8,13-14H,2-6,9-12H2,1H3,(H,23,28)(H2,24,25,26,31)