1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-(4-nitrophenyl)sulfanyl-ethanone

Systemtic Name: 1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-(4-nitrophenyl)sulfanyl-ethanone Openeye Name: 1-[4-(1,3-benzothiazol-2-yl)-1-piperidyl]-2-(4-nitrophenyl)sulfanyl-ethanone CAS Name: 1-[4-(1,3-benzothiazol-2-yl)-1-piperidinyl]-2-[(4-nitrophenyl)thio]ethanone IUPAC Name: 1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-(4-nitrophenyl)sulfanylethanone Traditional Name: 1-[4-(1,3-benzothiazol-2-yl)piperidino]-2-[(4-nitrophenyl)thio]ethanone Formula: C20H19N3O3S2 MolecularWeight: 413.51316

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NC3=CC=CC=C3S2)C(=O)CSC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C2=NC3=CC=CC=C3S2)C(=O)CSC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H19N3O3S2/c24-19(13-27-16-7-5-15(6-8-16)23(25)26)22-11-9-14(10-12-22)20-21-17-3-1-2-4-18(17)28-20/h1-8,14H,9-13H2