N-[2-(1,3-benzothiazol-2-yl)phenyl]-3-nitro-4-piperidin-1-yl-benzamide

Systemtic Name: N-[2-(1,3-benzothiazol-2-yl)phenyl]-3-nitro-4-piperidin-1-yl-benzamide Openeye Name: N-[2-(1,3-benzothiazol-2-yl)phenyl]-3-nitro-4-(1-piperidyl)benzamide CAS Name: N-[2-(1,3-benzothiazol-2-yl)phenyl]-3-nitro-4-(1-piperidinyl)benzamide IUPAC Name: N-[2-(1,3-benzothiazol-2-yl)phenyl]-3-nitro-4-piperidin-1-ylbenzamide Traditional Name: N-[2-(1,3-benzothiazol-2-yl)phenyl]-3-nitro-4-piperidino-benzamide Formula: C25H22N4O3S MolecularWeight: 458.53218

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=CC=CC=C3C4=NC5=CC=CC=C5S4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=CC=CC=C3C4=NC5=CC=CC=C5S4)[N+](=O)[O-]

InChI

InChI=1S/C25H22N4O3S/c30-24(17-12-13-21(22(16-17)29(31)32)28-14-6-1-7-15-28)26-19-9-3-2-8-18(19)25-27-20-10-4-5-11-23(20)33-25/h2-5,8-13,16H,1,6-7,14-15H2,(H,26,30)