2-[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-5-nitro-pyridine-3-carboxamide

Systemtic Name: 2-[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-5-nitro-pyridine-3-carboxamide Openeye Name: 2-[3-(1,3-benzothiazol-2-yl)-1-piperidyl]-5-nitro-pyridine-3-carboxamide CAS Name: 2-[3-(1,3-benzothiazol-2-yl)-1-piperidinyl]-5-nitro-3-pyridinecarboxamide IUPAC Name: 2-[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-5-nitropyridine-3-carboxamide Traditional Name: 2-[3-(1,3-benzothiazol-2-yl)piperidino]-5-nitro-nicotinamide Formula: C18H17N5O3S MolecularWeight: 383.42428

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=NC=C(C=C2C(=O)N)[N+](=O)[O-])C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CC(CN(C1)C2=NC=C(C=C2C(=O)N)[N+](=O)[O-])C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C18H17N5O3S/c19-16(24)13-8-12(23(25)26)9-20-17(13)22-7-3-4-11(10-22)18-21-14-5-1-2-6-15(14)27-18/h1-2,5-6,8-9,11H,3-4,7,10H2,(H2,19,24)