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

Systemtic Name: 2-methoxyethyl 4-[[4-(2-cyclohexylethoxy)phenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: 2-methoxyethyl 4-[[4-(2-cyclohexylethoxy)phenyl]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[4-(2-cyclohexylethoxy)anilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 4-[[4-(2-cyclohexylethoxy)phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[4-(2-cyclohexylethoxy)phenyl]thiocarbamoylamino]-4-keto-butyric acid 2-methoxyethyl ester Formula: C22H32N2O5S MolecularWeight: 436.56488

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC(=O)CCC(=O)NC(=S)NC1=CC=C(C=C1)OCCC2CCCCC2

Isomeric SMILES

COCCOC(=O)CCC(=O)NC(=S)NC1=CC=C(C=C1)OCCC2CCCCC2

InChI

InChI=1S/C22H32N2O5S/c1-27-15-16-29-21(26)12-11-20(25)24-22(30)23-18-7-9-19(10-8-18)28-14-13-17-5-3-2-4-6-17/h7-10,17H,2-6,11-16H2,1H3,(H2,23,24,25,30)