[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(1-propan-2-ylpyrazol-3-yl)methanone

Systemtic Name: [4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(1-propan-2-ylpyrazol-3-yl)methanone Openeye Name: (1-isopropylpyrazol-3-yl)-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone CAS Name: [4-(6-nitro-1,3-benzothiazol-2-yl)-1-piperazinyl]-(1-propan-2-yl-3-pyrazolyl)methanone IUPAC Name: [4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(1-propan-2-ylpyrazol-3-yl)methanone Traditional Name: (1-isopropylpyrazol-3-yl)-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazino]methanone Formula: C18H20N6O3S MolecularWeight: 400.4548

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=CC(=N1)C(=O)N2CCN(CC2)C3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC(C)N1C=CC(=N1)C(=O)N2CCN(CC2)C3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H20N6O3S/c1-12(2)23-6-5-15(20-23)17(25)21-7-9-22(10-8-21)18-19-14-4-3-13(24(26)27)11-16(14)28-18/h3-6,11-12H,7-10H2,1-2H3