N-[2-(1,3-benzothiazol-2-yl)ethyl]-4-(4-methylpiperidin-1-yl)-3-nitro-benzamide

Systemtic Name: N-[2-(1,3-benzothiazol-2-yl)ethyl]-4-(4-methylpiperidin-1-yl)-3-nitro-benzamide Openeye Name: N-[2-(1,3-benzothiazol-2-yl)ethyl]-4-(4-methyl-1-piperidyl)-3-nitro-benzamide CAS Name: N-[2-(1,3-benzothiazol-2-yl)ethyl]-4-(4-methyl-1-piperidinyl)-3-nitrobenzamide IUPAC Name: N-[2-(1,3-benzothiazol-2-yl)ethyl]-4-(4-methylpiperidin-1-yl)-3-nitrobenzamide Traditional Name: N-[2-(1,3-benzothiazol-2-yl)ethyl]-4-(4-methylpiperidino)-3-nitro-benzamide Formula: C22H24N4O3S MolecularWeight: 424.51596

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)NCCC3=NC4=CC=CC=C4S3)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)NCCC3=NC4=CC=CC=C4S3)[N+](=O)[O-]

InChI

InChI=1S/C22H24N4O3S/c1-15-9-12-25(13-10-15)18-7-6-16(14-19(18)26(28)29)22(27)23-11-8-21-24-17-4-2-3-5-20(17)30-21/h2-7,14-15H,8-13H2,1H3,(H,23,27)