N-(1-cyanocyclohexyl)-N-methyl-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanamide

Systemtic Name: N-(1-cyanocyclohexyl)-N-methyl-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanamide Openeye Name: N-(1-cyanocyclohexyl)-N-methyl-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetamide CAS Name: N-(1-cyanocyclohexyl)-N-methyl-2-[(6-nitro-1,3-benzothiazol-2-yl)thio]acetamide IUPAC Name: N-(1-cyanocyclohexyl)-N-methyl-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetamide Traditional Name: N-(1-cyanocyclohexyl)-N-methyl-2-[(6-nitro-1,3-benzothiazol-2-yl)thio]acetamide Formula: C17H18N4O3S2 MolecularWeight: 390.47982

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)CSC1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-])C3(CCCCC3)C#N

Isomeric SMILES

CN(C(=O)CSC1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-])C3(CCCCC3)C#N

InChI

InChI=1S/C17H18N4O3S2/c1-20(17(11-18)7-3-2-4-8-17)15(22)10-25-16-19-13-6-5-12(21(23)24)9-14(13)26-16/h5-6,9H,2-4,7-8,10H2,1H3