N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4-(4-methylpiperidin-1-yl)-3-nitro-benzamide

Systemtic Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4-(4-methylpiperidin-1-yl)-3-nitro-benzamide Openeye Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4-(4-methyl-1-piperidyl)-3-nitro-benzamide CAS Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4-(4-methyl-1-piperidinyl)-3-nitrobenzamide IUPAC Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4-(4-methylpiperidin-1-yl)-3-nitrobenzamide Traditional Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)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=C(C=C3)C4=NC5=C(S4)C=C(C=C5)C)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=CC=C(C=C3)C4=NC5=C(S4)C=C(C=C5)C)[N+](=O)[O-]

InChI

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