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

Systemtic Name: methyl 4-[[4-(2-cyclohexylethoxy)phenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[[4-(2-cyclohexylethoxy)phenyl]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[4-(2-cyclohexylethoxy)anilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[[4-(2-cyclohexylethoxy)phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[4-(2-cyclohexylethoxy)phenyl]thiocarbamoylamino]-4-keto-butyric acid methyl ester Formula: C20H28N2O4S MolecularWeight: 392.51232

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N2O4S/c1-25-19(24)12-11-18(23)22-20(27)21-16-7-9-17(10-8-16)26-14-13-15-5-3-2-4-6-15/h7-10,15H,2-6,11-14H2,1H3,(H2,21,22,23,27)