methyl 4-[[cyclohexylcarbamothioyl(methyl)amino]carbamoyl]benzoate

Systemtic Name: methyl 4-[[cyclohexylcarbamothioyl(methyl)amino]carbamoyl]benzoate Openeye Name: methyl 4-[[cyclohexylcarbamothioyl(methyl)amino]carbamoyl]benzoate CAS Name: 4-[[2-[(cyclohexylamino)-sulfanylidenemethyl]-2-methylhydrazinyl]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[cyclohexylcarbamothioyl(methyl)amino]carbamoyl]benzoate Traditional Name: 4-[[cyclohexylthiocarbamoyl(methyl)amino]carbamoyl]benzoic acid methyl ester Formula: C17H23N3O3S MolecularWeight: 349.44782

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=S)NC1CCCCC1)NC(=O)C2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CN(C(=S)NC1CCCCC1)NC(=O)C2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C17H23N3O3S/c1-20(17(24)18-14-6-4-3-5-7-14)19-15(21)12-8-10-13(11-9-12)16(22)23-2/h8-11,14H,3-7H2,1-2H3,(H,18,24)(H,19,21)