[2-(4-phenylpiperazin-1-yl)-1,3-benzothiazol-6-yl] 3-nitrobenzoate

Systemtic Name: [2-(4-phenylpiperazin-1-yl)-1,3-benzothiazol-6-yl] 3-nitrobenzoate Openeye Name: [2-(4-phenylpiperazin-1-yl)-1,3-benzothiazol-6-yl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [2-(4-phenyl-1-piperazinyl)-1,3-benzothiazol-6-yl] ester IUPAC Name: [2-(4-phenylpiperazin-1-yl)-1,3-benzothiazol-6-yl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [2-(4-phenylpiperazino)-1,3-benzothiazol-6-yl] ester Formula: C24H20N4O4S MolecularWeight: 460.505

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C3=NC4=C(S3)C=C(C=C4)OC(=O)C5=CC(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C3=NC4=C(S3)C=C(C=C4)OC(=O)C5=CC(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C24H20N4O4S/c29-23(17-5-4-8-19(15-17)28(30)31)32-20-9-10-21-22(16-20)33-24(25-21)27-13-11-26(12-14-27)18-6-2-1-3-7-18/h1-10,15-16H,11-14H2