methyl 4-methyl-3-[[(1S,2S)-2-methylcyclohexyl]carbamothioylamino]benzoate

Systemtic Name: methyl 4-methyl-3-[[(1S,2S)-2-methylcyclohexyl]carbamothioylamino]benzoate Openeye Name: methyl 4-methyl-3-[[(1S,2S)-2-methylcyclohexyl]carbamothioylamino]benzoate CAS Name: 4-methyl-3-[[[[(1S,2S)-2-methylcyclohexyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-methyl-3-[[(1S,2S)-2-methylcyclohexyl]carbamothioylamino]benzoate Traditional Name: 4-methyl-3-[[(1S,2S)-2-methylcyclohexyl]thiocarbamoylamino]benzoic acid methyl ester Formula: C17H24N2O2S MolecularWeight: 320.44966

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N2O2S/c1-11-6-4-5-7-14(11)18-17(22)19-15-10-13(16(20)21-3)9-8-12(15)2/h8-11,14H,4-7H2,1-3H3,(H2,18,19,22)/t11-,14-/m0/s1