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

Systemtic Name: propyl 4-[[4-(2-cyclohexylethoxy)phenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: propyl 4-[[4-(2-cyclohexylethoxy)phenyl]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[4-(2-cyclohexylethoxy)anilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid propyl ester IUPAC Name: propyl 4-[[4-(2-cyclohexylethoxy)phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[4-(2-cyclohexylethoxy)phenyl]thiocarbamoylamino]-4-keto-butyric acid propyl ester Formula: C22H32N2O4S MolecularWeight: 420.56548

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H32N2O4S/c1-2-15-28-21(26)13-12-20(25)24-22(29)23-18-8-10-19(11-9-18)27-16-14-17-6-4-3-5-7-17/h8-11,17H,2-7,12-16H2,1H3,(H2,23,24,25,29)