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

Systemtic Name: dimethyl 5-(cyclohexylcarbonylcarbamothioylamino)benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-(cyclohexanecarbonylcarbamothioylamino)benzene-1,3-dicarboxylate CAS Name: 5-[[[[cyclohexyl(oxo)methyl]amino]-sulfanylidenemethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-(cyclohexanecarbonylcarbamothioylamino)benzene-1,3-dicarboxylate Traditional Name: 5-(cyclohexanecarbonylthiocarbamoylamino)benzene-1,3-dicarboxylic acid dimethyl ester Formula: C18H22N2O5S MolecularWeight: 378.44268

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=S)NC(=O)C2CCCCC2)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=S)NC(=O)C2CCCCC2)C(=O)OC

InChI

InChI=1S/C18H22N2O5S/c1-24-16(22)12-8-13(17(23)25-2)10-14(9-12)19-18(26)20-15(21)11-6-4-3-5-7-11/h8-11H,3-7H2,1-2H3,(H2,19,20,21,26)