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

Systemtic Name: (2,3-dimethoxyphenyl)-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone Openeye Name: (2,3-dimethoxyphenyl)-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone CAS Name: (2,3-dimethoxyphenyl)-[4-(6-nitro-1,3-benzothiazol-2-yl)-1-piperazinyl]methanone IUPAC Name: (2,3-dimethoxyphenyl)-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone Traditional Name: (2,3-dimethoxyphenyl)-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazino]methanone Formula: C20H20N4O5S MolecularWeight: 428.4616

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C(=O)N2CCN(CC2)C3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1OC)C(=O)N2CCN(CC2)C3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O5S/c1-28-16-5-3-4-14(18(16)29-2)19(25)22-8-10-23(11-9-22)20-21-15-7-6-13(24(26)27)12-17(15)30-20/h3-7,12H,8-11H2,1-2H3