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

Systemtic Name: N-[2-(1,3-benzothiazol-2-yl)-4-bromanyl-phenyl]-3-nitro-4-piperidin-1-yl-benzamide Openeye Name: N-[2-(1,3-benzothiazol-2-yl)-4-bromo-phenyl]-3-nitro-4-(1-piperidyl)benzamide CAS Name: N-[2-(1,3-benzothiazol-2-yl)-4-bromophenyl]-3-nitro-4-(1-piperidinyl)benzamide IUPAC Name: N-[2-(1,3-benzothiazol-2-yl)-4-bromophenyl]-3-nitro-4-piperidin-1-ylbenzamide Traditional Name: N-[2-(1,3-benzothiazol-2-yl)-4-bromo-phenyl]-3-nitro-4-piperidino-benzamide Formula: C25H21BrN4O3S MolecularWeight: 537.42824

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=C(C=C(C=C3)Br)C4=NC5=CC=CC=C5S4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=C(C=C(C=C3)Br)C4=NC5=CC=CC=C5S4)[N+](=O)[O-]

InChI

InChI=1S/C25H21BrN4O3S/c26-17-9-10-19(18(15-17)25-28-20-6-2-3-7-23(20)34-25)27-24(31)16-8-11-21(22(14-16)30(32)33)29-12-4-1-5-13-29/h2-3,6-11,14-15H,1,4-5,12-13H2,(H,27,31)