methyl 4-[[1-(dimethylamino)cyclohexyl]methylcarbamothioyl]benzoate

Systemtic Name: methyl 4-[[1-(dimethylamino)cyclohexyl]methylcarbamothioyl]benzoate Openeye Name: methyl 4-[[1-(dimethylamino)cyclohexyl]methylcarbamothioyl]benzoate CAS Name: 4-[[[1-(dimethylamino)cyclohexyl]methylamino]-sulfanylidenemethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[1-(dimethylamino)cyclohexyl]methylcarbamothioyl]benzoate Traditional Name: 4-[[1-(dimethylamino)cyclohexyl]methylthiocarbamoyl]benzoic acid methyl ester Formula: C18H26N2O2S MolecularWeight: 334.47624

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1(CCCCC1)CNC(=S)C2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CN(C)C1(CCCCC1)CNC(=S)C2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C18H26N2O2S/c1-20(2)18(11-5-4-6-12-18)13-19-16(23)14-7-9-15(10-8-14)17(21)22-3/h7-10H,4-6,11-13H2,1-3H3,(H,19,23)