[2-(4-phenylpiperazin-1-yl)-1,3-benzothiazol-6-yl] (E)-3-(3-nitrophenyl)prop-2-enoate

Systemtic Name: [2-(4-phenylpiperazin-1-yl)-1,3-benzothiazol-6-yl] (E)-3-(3-nitrophenyl)prop-2-enoate Openeye Name: [2-(4-phenylpiperazin-1-yl)-1,3-benzothiazol-6-yl] (E)-3-(3-nitrophenyl)prop-2-enoate CAS Name: (E)-3-(3-nitrophenyl)-2-propenoic acid [2-(4-phenyl-1-piperazinyl)-1,3-benzothiazol-6-yl] ester IUPAC Name: [2-(4-phenylpiperazin-1-yl)-1,3-benzothiazol-6-yl] (E)-3-(3-nitrophenyl)prop-2-enoate Traditional Name: (E)-3-(3-nitrophenyl)acrylic acid [2-(4-phenylpiperazino)-1,3-benzothiazol-6-yl] ester Formula: C26H22N4O4S MolecularWeight: 486.54228

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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)C=CC5=CC(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C26H22N4O4S/c31-25(12-9-19-5-4-8-21(17-19)30(32)33)34-22-10-11-23-24(18-22)35-26(27-23)29-15-13-28(14-16-29)20-6-2-1-3-7-20/h1-12,17-18H,13-16H2/b12-9+