N-[6-[(4,5-dicyano-2-nitro-phenyl)amino]-1,3-benzothiazol-2-yl]cyclohexanecarboxamide

Systemtic Name: N-[6-[(4,5-dicyano-2-nitro-phenyl)amino]-1,3-benzothiazol-2-yl]cyclohexanecarboxamide Openeye Name: N-[6-(4,5-dicyano-2-nitro-anilino)-1,3-benzothiazol-2-yl]cyclohexanecarboxamide CAS Name: N-[6-(4,5-dicyano-2-nitroanilino)-1,3-benzothiazol-2-yl]cyclohexanecarboxamide IUPAC Name: N-[6-(4,5-dicyano-2-nitroanilino)-1,3-benzothiazol-2-yl]cyclohexanecarboxamide Traditional Name: N-[6-(4,5-dicyano-2-nitro-anilino)-1,3-benzothiazol-2-yl]cyclohexanecarboxamide Formula: C22H18N6O3S MolecularWeight: 446.48172

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)NC2=NC3=C(S2)C=C(C=C3)NC4=C(C=C(C(=C4)C#N)C#N)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)C(=O)NC2=NC3=C(S2)C=C(C=C3)NC4=C(C=C(C(=C4)C#N)C#N)[N+](=O)[O-]

InChI

InChI=1S/C22H18N6O3S/c23-11-14-8-18(19(28(30)31)9-15(14)12-24)25-16-6-7-17-20(10-16)32-22(26-17)27-21(29)13-4-2-1-3-5-13/h6-10,13,25H,1-5H2,(H,26,27,29)