4-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-nitro-benzamide

Systemtic Name: 4-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-nitro-benzamide Openeye Name: 4-[4-(1,3-benzothiazol-2-yl)-1-piperidyl]-3-nitro-benzamide CAS Name: 4-[4-(1,3-benzothiazol-2-yl)-1-piperidinyl]-3-nitrobenzamide IUPAC Name: 4-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-nitrobenzamide Traditional Name: 4-[4-(1,3-benzothiazol-2-yl)piperidino]-3-nitro-benzamide Formula: C19H18N4O3S MolecularWeight: 382.43622

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NC3=CC=CC=C3S2)C4=C(C=C(C=C4)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C2=NC3=CC=CC=C3S2)C4=C(C=C(C=C4)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C19H18N4O3S/c20-18(24)13-5-6-15(16(11-13)23(25)26)22-9-7-12(8-10-22)19-21-14-3-1-2-4-17(14)27-19/h1-6,11-12H,7-10H2,(H2,20,24)