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

Systemtic Name: N-methyl-2-[2-[(4-nitrophenyl)sulfonylamino]ethyl]-1-pyridin-3-yl-cyclohexane-1-carbothioamide Openeye Name: N-methyl-2-[2-[(4-nitrophenyl)sulfonylamino]ethyl]-1-(3-pyridyl)cyclohexanecarbothioamide CAS Name: N-methyl-2-[2-[(4-nitrophenyl)sulfonylamino]ethyl]-1-(3-pyridinyl)-1-cyclohexanecarbothioamide IUPAC Name: N-methyl-2-[2-[(4-nitrophenyl)sulfonylamino]ethyl]-1-pyridin-3-ylcyclohexane-1-carbothioamide Traditional Name: N-methyl-2-[2-(nosylamino)ethyl]-1-(3-pyridyl)cyclohexanecarbothioamide Formula: C21H26N4O4S2 MolecularWeight: 462.58554

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)C1(CCCCC1CCNS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CN=CC=C3

Isomeric SMILES

CNC(=S)C1(CCCCC1CCNS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CN=CC=C3

InChI

InChI=1S/C21H26N4O4S2/c1-22-20(30)21(17-6-4-13-23-15-17)12-3-2-5-16(21)11-14-24-31(28,29)19-9-7-18(8-10-19)25(26)27/h4,6-10,13,15-16,24H,2-3,5,11-12,14H2,1H3,(H,22,30)