dimethyl 5-(cyclohexylcarbamothioylamino)benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-(cyclohexylcarbamothioylamino)benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-(cyclohexylcarbamothioylamino)benzene-1,3-dicarboxylate CAS Name: 5-[[(cyclohexylamino)-sulfanylidenemethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-(cyclohexylcarbamothioylamino)benzene-1,3-dicarboxylate Traditional Name: 5-(cyclohexylthiocarbamoylamino)benzene-1,3-dicarboxylic acid dimethyl ester Formula: C17H22N2O4S MolecularWeight: 350.43258

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=S)NC2CCCCC2)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=S)NC2CCCCC2)C(=O)OC

InChI

InChI=1S/C17H22N2O4S/c1-22-15(20)11-8-12(16(21)23-2)10-14(9-11)19-17(24)18-13-6-4-3-5-7-13/h8-10,13H,3-7H2,1-2H3,(H2,18,19,24)