methyl 3-[[cyclohexyl(methyl)carbamothioyl]carbamoyl]benzoate

Systemtic Name: methyl 3-[[cyclohexyl(methyl)carbamothioyl]carbamoyl]benzoate Openeye Name: methyl 3-[[cyclohexyl(methyl)carbamothioyl]carbamoyl]benzoate CAS Name: 3-[[[[cyclohexyl(methyl)amino]-sulfanylidenemethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[cyclohexyl(methyl)carbamothioyl]carbamoyl]benzoate Traditional Name: 3-[[cyclohexyl(methyl)thiocarbamoyl]carbamoyl]benzoic acid methyl ester Formula: C17H22N2O3S MolecularWeight: 334.43318

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCCCC1)C(=S)NC(=O)C2=CC(=CC=C2)C(=O)OC

Isomeric SMILES

CN(C1CCCCC1)C(=S)NC(=O)C2=CC(=CC=C2)C(=O)OC

InChI

InChI=1S/C17H22N2O3S/c1-19(14-9-4-3-5-10-14)17(23)18-15(20)12-7-6-8-13(11-12)16(21)22-2/h6-8,11,14H,3-5,9-10H2,1-2H3,(H,18,20,23)