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

Systemtic Name: N-[3-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]-4-(4-methylpiperidin-1-yl)-3-nitro-benzamide Openeye Name: N-[3-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]-4-(4-methyl-1-piperidyl)-3-nitro-benzamide CAS Name: N-[3-(1,3-benzothiazol-2-yl)-2-methylphenyl]-4-(4-methyl-1-piperidinyl)-3-nitrobenzamide IUPAC Name: N-[3-(1,3-benzothiazol-2-yl)-2-methylphenyl]-4-(4-methylpiperidin-1-yl)-3-nitrobenzamide Traditional Name: N-[3-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]-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)NC3=CC=CC(=C3C)C4=NC5=CC=CC=C5S4)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=CC=CC(=C3C)C4=NC5=CC=CC=C5S4)[N+](=O)[O-]

InChI

InChI=1S/C27H26N4O3S/c1-17-12-14-30(15-13-17)23-11-10-19(16-24(23)31(33)34)26(32)28-21-8-5-6-20(18(21)2)27-29-22-7-3-4-9-25(22)35-27/h3-11,16-17H,12-15H2,1-2H3,(H,28,32)