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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)N(C)C3=NC4=CC=CC=C4S3)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)N(C)C3=NC4=CC=CC=C4S3)[N+](=O)[O-]

InChI

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