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

Systemtic Name: (4-methylphenyl)-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone Openeye Name: [4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(p-tolyl)methanone CAS Name: (4-methylphenyl)-[4-(6-nitro-1,3-benzothiazol-2-yl)-1-piperazinyl]methanone IUPAC Name: (4-methylphenyl)-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone Traditional Name: [4-(6-nitro-1,3-benzothiazol-2-yl)piperazino]-(p-tolyl)methanone Formula: C19H18N4O3S MolecularWeight: 382.43622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H18N4O3S/c1-13-2-4-14(5-3-13)18(24)21-8-10-22(11-9-21)19-20-16-7-6-15(23(25)26)12-17(16)27-19/h2-7,12H,8-11H2,1H3