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

Systemtic Name: 2-methoxyethyl 4-[[3-(cyclohexylcarbamoyl)phenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: 2-methoxyethyl 4-[[3-(cyclohexylcarbamoyl)phenyl]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[3-[(cyclohexylamino)-oxomethyl]anilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 4-[[3-(cyclohexylcarbamoyl)phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[3-(cyclohexylcarbamoyl)phenyl]thiocarbamoylamino]-4-keto-butyric acid 2-methoxyethyl ester Formula: C21H29N3O5S MolecularWeight: 435.53706

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O5S/c1-28-12-13-29-19(26)11-10-18(25)24-21(30)23-17-9-5-6-15(14-17)20(27)22-16-7-3-2-4-8-16/h5-6,9,14,16H,2-4,7-8,10-13H2,1H3,(H,22,27)(H2,23,24,25,30)