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

Systemtic Name: 3-[4-[2-(3-methyl-2-nitro-phenyl)ethyl]piperazin-1-yl]-1,2-benzothiazole Openeye Name: 3-[4-[2-(3-methyl-2-nitro-phenyl)ethyl]piperazin-1-yl]-1,2-benzothiazole CAS Name: 3-[4-[2-(3-methyl-2-nitrophenyl)ethyl]-1-piperazinyl]-1,2-benzothiazole IUPAC Name: 3-[4-[2-(3-methyl-2-nitrophenyl)ethyl]piperazin-1-yl]-1,2-benzothiazole Traditional Name: 3-[4-[2-(3-methyl-2-nitro-phenyl)ethyl]piperazino]-1,2-benzothiazole Formula: C20H22N4O2S MolecularWeight: 382.47928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)CCN2CCN(CC2)C3=NSC4=CC=CC=C43)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=CC=C1)CCN2CCN(CC2)C3=NSC4=CC=CC=C43)[N+](=O)[O-]

InChI

InChI=1S/C20H22N4O2S/c1-15-5-4-6-16(19(15)24(25)26)9-10-22-11-13-23(14-12-22)20-17-7-2-3-8-18(17)27-21-20/h2-8H,9-14H2,1H3