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

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

Isomeric SMILES

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

InChI

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