methyl 3-[[(1S,2R)-2-methylcyclohexyl]carbamothioylamino]benzoate

Systemtic Name: methyl 3-[[(1S,2R)-2-methylcyclohexyl]carbamothioylamino]benzoate Openeye Name: methyl 3-[[(1S,2R)-2-methylcyclohexyl]carbamothioylamino]benzoate CAS Name: 3-[[[[(1S,2R)-2-methylcyclohexyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[(1S,2R)-2-methylcyclohexyl]carbamothioylamino]benzoate Traditional Name: 3-[[(1S,2R)-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=CC(=C2)C(=O)OC

Isomeric SMILES

C[C@@H]1CCCC[C@@H]1NC(=S)NC2=CC=CC(=C2)C(=O)OC

InChI

InChI=1S/C16H22N2O2S/c1-11-6-3-4-9-14(11)18-16(21)17-13-8-5-7-12(10-13)15(19)20-2/h5,7-8,10-11,14H,3-4,6,9H2,1-2H3,(H2,17,18,21)/t11-,14+/m1/s1