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

Systemtic Name: (3,4-dimethylphenyl)-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone Openeye Name: (3,4-dimethylphenyl)-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone CAS Name: (3,4-dimethylphenyl)-[4-(6-nitro-1,3-benzothiazol-2-yl)-1-piperazinyl]methanone IUPAC Name: (3,4-dimethylphenyl)-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone Traditional Name: (3,4-dimethylphenyl)-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazino]methanone Formula: C20H20N4O3S MolecularWeight: 396.4628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N4O3S/c1-13-3-4-15(11-14(13)2)19(25)22-7-9-23(10-8-22)20-21-17-6-5-16(24(26)27)12-18(17)28-20/h3-6,11-12H,7-10H2,1-2H3