N-(1,3-benzothiazol-2-ylmethyl)-2-(4-methylpiperidin-1-yl)-5-nitro-benzamide

Systemtic Name: N-(1,3-benzothiazol-2-ylmethyl)-2-(4-methylpiperidin-1-yl)-5-nitro-benzamide Openeye Name: N-(1,3-benzothiazol-2-ylmethyl)-2-(4-methyl-1-piperidyl)-5-nitro-benzamide CAS Name: N-(1,3-benzothiazol-2-ylmethyl)-2-(4-methyl-1-piperidinyl)-5-nitrobenzamide IUPAC Name: N-(1,3-benzothiazol-2-ylmethyl)-2-(4-methylpiperidin-1-yl)-5-nitrobenzamide Traditional Name: N-(1,3-benzothiazol-2-ylmethyl)-2-(4-methylpiperidino)-5-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)[N+](=O)[O-])C(=O)NCC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H22N4O3S/c1-14-8-10-24(11-9-14)18-7-6-15(25(27)28)12-16(18)21(26)22-13-20-23-17-4-2-3-5-19(17)29-20/h2-7,12,14H,8-11,13H2,1H3,(H,22,26)