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

Systemtic Name: N-(4-methyl-1,3-benzothiazol-2-yl)-4-(4-methylpiperidin-1-yl)-3-nitro-benzamide Openeye Name: N-(4-methyl-1,3-benzothiazol-2-yl)-4-(4-methyl-1-piperidyl)-3-nitro-benzamide CAS Name: N-(4-methyl-1,3-benzothiazol-2-yl)-4-(4-methyl-1-piperidinyl)-3-nitrobenzamide IUPAC Name: N-(4-methyl-1,3-benzothiazol-2-yl)-4-(4-methylpiperidin-1-yl)-3-nitrobenzamide Traditional Name: N-(4-methyl-1,3-benzothiazol-2-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=NC4=C(C=CC=C4S3)C)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=NC4=C(C=CC=C4S3)C)[N+](=O)[O-]

InChI

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