6-nitro-2-[4-(phenylmethyl)piperazin-1-yl]-1,3-benzothiazole

Systemtic Name: 6-nitro-2-[4-(phenylmethyl)piperazin-1-yl]-1,3-benzothiazole Openeye Name: 2-(4-benzylpiperazin-1-yl)-6-nitro-1,3-benzothiazole CAS Name: 6-nitro-2-[4-(phenylmethyl)-1-piperazinyl]-1,3-benzothiazole IUPAC Name: 2-(4-benzylpiperazin-1-yl)-6-nitro-1,3-benzothiazole Traditional Name: 2-(4-benzylpiperazino)-6-nitro-1,3-benzothiazole Formula: C18H18N4O2S MolecularWeight: 354.42612

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H18N4O2S/c23-22(24)15-6-7-16-17(12-15)25-18(19-16)21-10-8-20(9-11-21)13-14-4-2-1-3-5-14/h1-7,12H,8-11,13H2