methyl 4-[(2-methylcyclohexyl)carbamothioylamino]benzoate

Systemtic Name: methyl 4-[(2-methylcyclohexyl)carbamothioylamino]benzoate Openeye Name: methyl 4-[(2-methylcyclohexyl)carbamothioylamino]benzoate CAS Name: 4-[[[(2-methylcyclohexyl)amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(2-methylcyclohexyl)carbamothioylamino]benzoate Traditional Name: 4-[(2-methylcyclohexyl)thiocarbamoylamino]benzoic acid methyl ester Formula: C16H22N2O2S MolecularWeight: 306.42308

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=S)NC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CC1CCCCC1NC(=S)NC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C16H22N2O2S/c1-11-5-3-4-6-14(11)18-16(21)17-13-9-7-12(8-10-13)15(19)20-2/h7-11,14H,3-6H2,1-2H3,(H2,17,18,21)