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

Systemtic Name: N-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl]-3-nitro-4-piperidin-1-yl-benzamide Openeye Name: N-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl]-3-nitro-4-(1-piperidyl)benzamide CAS Name: N-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl]-3-nitro-4-(1-piperidinyl)benzamide IUPAC Name: N-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl]-3-nitro-4-piperidin-1-ylbenzamide Traditional Name: N-[4-(1,3-benzothiazol-2-yl)benzyl]-3-nitro-4-piperidino-benzamide Formula: C26H24N4O3S MolecularWeight: 472.55876

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)NCC3=CC=C(C=C3)C4=NC5=CC=CC=C5S4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)NCC3=CC=C(C=C3)C4=NC5=CC=CC=C5S4)[N+](=O)[O-]

InChI

InChI=1S/C26H24N4O3S/c31-25(20-12-13-22(23(16-20)30(32)33)29-14-4-1-5-15-29)27-17-18-8-10-19(11-9-18)26-28-21-6-2-3-7-24(21)34-26/h2-3,6-13,16H,1,4-5,14-15,17H2,(H,27,31)