ethyl 4-[[(1S,2R)-2-methylcyclohexyl]carbamothioylamino]benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2CCCCC2C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)N[C@H]2CCCC[C@H]2C

InChI

InChI=1S/C17H24N2O2S/c1-3-21-16(20)13-8-10-14(11-9-13)18-17(22)19-15-7-5-4-6-12(15)2/h8-12,15H,3-7H2,1-2H3,(H2,18,19,22)/t12-,15+/m1/s1