methyl 4-[[4-(cyclohexylcarbamoyl)phenyl]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-[[4-(cyclohexylcarbamoyl)phenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[[4-(cyclohexylcarbamoyl)phenyl]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[4-[(cyclohexylamino)-oxomethyl]anilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[[4-(cyclohexylcarbamoyl)phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[4-(cyclohexylcarbamoyl)phenyl]thiocarbamoylamino]-4-keto-butyric acid methyl ester Formula: C19H25N3O4S MolecularWeight: 391.4845

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N3O4S/c1-26-17(24)12-11-16(23)22-19(27)21-15-9-7-13(8-10-15)18(25)20-14-5-3-2-4-6-14/h7-10,14H,2-6,11-12H2,1H3,(H,20,25)(H2,21,22,23,27)