N-[2-(cyclohexylcarbonylamino)-1,3-benzothiazol-5-yl]-1-methyl-4-nitro-pyrazole-3-carboxamide

Systemtic Name: N-[2-(cyclohexylcarbonylamino)-1,3-benzothiazol-5-yl]-1-methyl-4-nitro-pyrazole-3-carboxamide Openeye Name: N-[2-(cyclohexanecarbonylamino)-1,3-benzothiazol-5-yl]-1-methyl-4-nitro-pyrazole-3-carboxamide CAS Name: N-[2-[[cyclohexyl(oxo)methyl]amino]-1,3-benzothiazol-5-yl]-1-methyl-4-nitro-3-pyrazolecarboxamide IUPAC Name: N-[2-(cyclohexanecarbonylamino)-1,3-benzothiazol-5-yl]-1-methyl-4-nitropyrazole-3-carboxamide Traditional Name: N-[2-(cyclohexanecarbonylamino)-1,3-benzothiazol-5-yl]-1-methyl-4-nitro-pyrazole-3-carboxamide Formula: C19H20N6O4S MolecularWeight: 428.4649

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C(=O)NC2=CC3=C(C=C2)SC(=N3)NC(=O)C4CCCCC4)[N+](=O)[O-]

Isomeric SMILES

CN1C=C(C(=N1)C(=O)NC2=CC3=C(C=C2)SC(=N3)NC(=O)C4CCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C19H20N6O4S/c1-24-10-14(25(28)29)16(23-24)18(27)20-12-7-8-15-13(9-12)21-19(30-15)22-17(26)11-5-3-2-4-6-11/h7-11H,2-6H2,1H3,(H,20,27)(H,21,22,26)