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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)NCC3=NC4=CC=CC=C4S3)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)NCC3=NC4=CC=CC=C4S3)[N+](=O)[O-]

InChI

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