2-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]-N-methyl-1-pyridin-3-yl-cyclohexane-1-carbothioamide

Systemtic Name: 2-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]-N-methyl-1-pyridin-3-yl-cyclohexane-1-carbothioamide Openeye Name: 2-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]-N-methyl-1-(3-pyridyl)cyclohexanecarbothioamide CAS Name: 2-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]-N-methyl-1-(3-pyridinyl)-1-cyclohexanecarbothioamide IUPAC Name: 2-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]-N-methyl-1-pyridin-3-ylcyclohexane-1-carbothioamide Traditional Name: 2-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]-N-methyl-1-(3-pyridyl)cyclohexanecarbothioamide Formula: C22H29N3O3S2 MolecularWeight: 447.61396

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)C1(CCCCC1CCNS(=O)(=O)C2=CC=C(C=C2)OC)C3=CN=CC=C3

Isomeric SMILES

CNC(=S)C1(CCCCC1CCNS(=O)(=O)C2=CC=C(C=C2)OC)C3=CN=CC=C3

InChI

InChI=1S/C22H29N3O3S2/c1-23-21(29)22(18-7-5-14-24-16-18)13-4-3-6-17(22)12-15-25-30(26,27)20-10-8-19(28-2)9-11-20/h5,7-11,14,16-17,25H,3-4,6,12-13,15H2,1-2H3,(H,23,29)