methyl 2-methoxy-5-[[[(1S,2S)-2-methylcyclohexyl]carbamothioylamino]methyl]benzoate

Systemtic Name: methyl 2-methoxy-5-[[[(1S,2S)-2-methylcyclohexyl]carbamothioylamino]methyl]benzoate Openeye Name: methyl 2-methoxy-5-[[[(1S,2S)-2-methylcyclohexyl]carbamothioylamino]methyl]benzoate CAS Name: 2-methoxy-5-[[[[[(1S,2S)-2-methylcyclohexyl]amino]-sulfanylidenemethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 2-methoxy-5-[[[(1S,2S)-2-methylcyclohexyl]carbamothioylamino]methyl]benzoate Traditional Name: 2-methoxy-5-[[[(1S,2S)-2-methylcyclohexyl]thiocarbamoylamino]methyl]benzoic acid methyl ester Formula: C18H26N2O3S MolecularWeight: 350.47564

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=S)NCC2=CC(=C(C=C2)OC)C(=O)OC

Isomeric SMILES

C[C@H]1CCCC[C@@H]1NC(=S)NCC2=CC(=C(C=C2)OC)C(=O)OC

InChI

InChI=1S/C18H26N2O3S/c1-12-6-4-5-7-15(12)20-18(24)19-11-13-8-9-16(22-2)14(10-13)17(21)23-3/h8-10,12,15H,4-7,11H2,1-3H3,(H2,19,20,24)/t12-,15-/m0/s1