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

Systemtic Name: [2-(4-phenylpiperazin-1-yl)-1,3-benzothiazol-6-yl] (Z)-3-(4-nitrophenyl)prop-2-enoate Openeye Name: [2-(4-phenylpiperazin-1-yl)-1,3-benzothiazol-6-yl] (Z)-3-(4-nitrophenyl)prop-2-enoate CAS Name: (Z)-3-(4-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] (Z)-3-(4-nitrophenyl)prop-2-enoate Traditional Name: (Z)-3-(4-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=C(C=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=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C26H22N4O4S/c31-25(13-8-19-6-9-21(10-7-19)30(32)33)34-22-11-12-23-24(18-22)35-26(27-23)29-16-14-28(15-17-29)20-4-2-1-3-5-20/h1-13,18H,14-17H2/b13-8-