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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=CC=C(C=C3)C4=NC5=CC=CC=C5S4)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=CC=C(C=C3)C4=NC5=CC=CC=C5S4)[N+](=O)[O-]

InChI

InChI=1S/C26H24N4O3S/c1-17-12-14-29(15-13-17)22-11-8-19(16-23(22)30(32)33)25(31)27-20-9-6-18(7-10-20)26-28-21-4-2-3-5-24(21)34-26/h2-11,16-17H,12-15H2,1H3,(H,27,31)