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

Systemtic Name: N-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl]-4-(4-methylpiperidin-1-yl)-3-nitro-benzamide Openeye Name: N-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl]-4-(4-methyl-1-piperidyl)-3-nitro-benzamide CAS Name: N-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl]-4-(4-methyl-1-piperidinyl)-3-nitrobenzamide IUPAC Name: N-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl]-4-(4-methylpiperidin-1-yl)-3-nitrobenzamide Traditional Name: N-[4-(1,3-benzothiazol-2-yl)benzyl]-4-(4-methylpiperidino)-3-nitro-benzamide Formula: C27H26N4O3S MolecularWeight: 486.58534

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)NCC3=CC=C(C=C3)C4=NC5=CC=CC=C5S4)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(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/C27H26N4O3S/c1-18-12-14-30(15-13-18)23-11-10-21(16-24(23)31(33)34)26(32)28-17-19-6-8-20(9-7-19)27-29-22-4-2-3-5-25(22)35-27/h2-11,16,18H,12-15,17H2,1H3,(H,28,32)