N-[2-(1,3-benzothiazol-2-yl)ethyl]-5-nitro-2-piperidin-1-yl-benzamide

Systemtic Name: N-[2-(1,3-benzothiazol-2-yl)ethyl]-5-nitro-2-piperidin-1-yl-benzamide Openeye Name: N-[2-(1,3-benzothiazol-2-yl)ethyl]-5-nitro-2-(1-piperidyl)benzamide CAS Name: N-[2-(1,3-benzothiazol-2-yl)ethyl]-5-nitro-2-(1-piperidinyl)benzamide IUPAC Name: N-[2-(1,3-benzothiazol-2-yl)ethyl]-5-nitro-2-piperidin-1-ylbenzamide Traditional Name: N-[2-(1,3-benzothiazol-2-yl)ethyl]-5-nitro-2-piperidino-benzamide Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NCCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NCCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H22N4O3S/c26-21(22-11-10-20-23-17-6-2-3-7-19(17)29-20)16-14-15(25(27)28)8-9-18(16)24-12-4-1-5-13-24/h2-3,6-9,14H,1,4-5,10-13H2,(H,22,26)