3-[4-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]piperazin-1-yl]-1,2-benzothiazole

Systemtic Name: 3-[4-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]piperazin-1-yl]-1,2-benzothiazole Openeye Name: 3-[4-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]piperazin-1-yl]-1,2-benzothiazole CAS Name: 3-[4-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-1-piperazinyl]-1,2-benzothiazole IUPAC Name: 3-[4-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]piperazin-1-yl]-1,2-benzothiazole Traditional Name: 3-[4-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]piperazino]-1,2-benzothiazole Formula: C21H24N4O4S MolecularWeight: 428.50466

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CCN2CCN(CC2)C3=NSC4=CC=CC=C43)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CCN2CCN(CC2)C3=NSC4=CC=CC=C43)[N+](=O)[O-])OC

InChI

InChI=1S/C21H24N4O4S/c1-28-18-13-15(17(25(26)27)14-19(18)29-2)7-8-23-9-11-24(12-10-23)21-16-5-3-4-6-20(16)30-22-21/h3-6,13-14H,7-12H2,1-2H3