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

Systemtic Name: N-(2-methyl-1,3-benzothiazol-6-yl)-4-(4-methylpiperidin-1-yl)-3-nitro-benzamide Openeye Name: N-(2-methyl-1,3-benzothiazol-6-yl)-4-(4-methyl-1-piperidyl)-3-nitro-benzamide CAS Name: N-(2-methyl-1,3-benzothiazol-6-yl)-4-(4-methyl-1-piperidinyl)-3-nitrobenzamide IUPAC Name: N-(2-methyl-1,3-benzothiazol-6-yl)-4-(4-methylpiperidin-1-yl)-3-nitrobenzamide Traditional Name: N-(2-methyl-1,3-benzothiazol-6-yl)-4-(4-methylpiperidino)-3-nitro-benzamide Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=CC4=C(C=C3)N=C(S4)C)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=CC4=C(C=C3)N=C(S4)C)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O3S/c1-13-7-9-24(10-8-13)18-6-3-15(11-19(18)25(27)28)21(26)23-16-4-5-17-20(12-16)29-14(2)22-17/h3-6,11-13H,7-10H2,1-2H3,(H,23,26)