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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCNS(=O)(=O)C1=CC=C(C=C1)[N+](=O)[O-])C(=S)C2(CCCCC2)C3=CN=CC=C3

Isomeric SMILES

CN(CCNS(=O)(=O)C1=CC=C(C=C1)[N+](=O)[O-])C(=S)C2(CCCCC2)C3=CN=CC=C3

InChI

InChI=1S/C21H26N4O4S2/c1-24(15-14-23-31(28,29)19-9-7-18(8-10-19)25(26)27)20(30)21(11-3-2-4-12-21)17-6-5-13-22-16-17/h5-10,13,16,23H,2-4,11-12,14-15H2,1H3