2-[methyl-(1-pyridin-3-ylcyclohexyl)carbothioyl-amino]ethyl benzoate

Systemtic Name: 2-[methyl-(1-pyridin-3-ylcyclohexyl)carbothioyl-amino]ethyl benzoate Openeye Name: 2-[methyl-[1-(3-pyridyl)cyclohexanecarbothioyl]amino]ethyl benzoate CAS Name: benzoic acid 2-[methyl-[[1-(3-pyridinyl)cyclohexyl]-sulfanylidenemethyl]amino]ethyl ester IUPAC Name: 2-[methyl-(1-pyridin-3-ylcyclohexanecarbothioyl)amino]ethyl benzoate Traditional Name: benzoic acid 2-[methyl-[1-(3-pyridyl)cyclohexanecarbothioyl]amino]ethyl ester Formula: C22H26N2O2S MolecularWeight: 382.51904

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCOC(=O)C1=CC=CC=C1)C(=S)C2(CCCCC2)C3=CN=CC=C3

Isomeric SMILES

CN(CCOC(=O)C1=CC=CC=C1)C(=S)C2(CCCCC2)C3=CN=CC=C3

InChI

InChI=1S/C22H26N2O2S/c1-24(15-16-26-20(25)18-9-4-2-5-10-18)21(27)22(12-6-3-7-13-22)19-11-8-14-23-17-19/h2,4-5,8-11,14,17H,3,6-7,12-13,15-16H2,1H3