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

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

C1CC(CN(C1)C(=O)CSC2=CC=C(C=C2)[N+](=O)[O-])C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)CSC2=CC=C(C=C2)[N+](=O)[O-])C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H19N3O3S2/c24-19(13-27-16-9-7-15(8-10-16)23(25)26)22-11-3-4-14(12-22)20-21-17-5-1-2-6-18(17)28-20/h1-2,5-10,14H,3-4,11-13H2/t14-/m0/s1