methyl 4-[[N-(cyclohexylmethyl)-C-methylsulfanyl-carbonimidoyl]amino]benzoate

Systemtic Name: methyl 4-[[N-(cyclohexylmethyl)-C-methylsulfanyl-carbonimidoyl]amino]benzoate Openeye Name: methyl 4-[[N-(cyclohexylmethyl)-C-methylsulfanyl-carbonimidoyl]amino]benzoate CAS Name: 4-[[cyclohexylmethylimino-(methylthio)methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[N-(cyclohexylmethyl)-C-methylsulfanylcarbonimidoyl]amino]benzoate Traditional Name: 4-[[N-(cyclohexylmethyl)-C-(methylthio)carbonimidoyl]amino]benzoic acid methyl ester Formula: C17H24N2O2S MolecularWeight: 320.44966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=NCC2CCCCC2)SC

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=NCC2CCCCC2)SC

InChI

InChI=1S/C17H24N2O2S/c1-21-16(20)14-8-10-15(11-9-14)19-17(22-2)18-12-13-6-4-3-5-7-13/h8-11,13H,3-7,12H2,1-2H3,(H,18,19)