[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(4-methylsulfanyl-3-nitro-phenyl)methanone

Systemtic Name: [(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(4-methylsulfanyl-3-nitro-phenyl)methanone Openeye Name: [(3R)-3-(1,3-benzothiazol-2-yl)-1-piperidyl]-(4-methylsulfanyl-3-nitro-phenyl)methanone CAS Name: [(3R)-3-(1,3-benzothiazol-2-yl)-1-piperidinyl]-[4-(methylthio)-3-nitrophenyl]methanone IUPAC Name: [(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(4-methylsulfanyl-3-nitrophenyl)methanone Traditional Name: [(3R)-3-(1,3-benzothiazol-2-yl)piperidino]-[4-(methylthio)-3-nitro-phenyl]methanone Formula: C20H19N3O3S2 MolecularWeight: 413.51316

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)C(=O)N2CCCC(C2)C3=NC4=CC=CC=C4S3)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)C(=O)N2CCC[C@H](C2)C3=NC4=CC=CC=C4S3)[N+](=O)[O-]

InChI

InChI=1S/C20H19N3O3S2/c1-27-18-9-8-13(11-16(18)23(25)26)20(24)22-10-4-5-14(12-22)19-21-15-6-2-3-7-17(15)28-19/h2-3,6-9,11,14H,4-5,10,12H2,1H3/t14-/m1/s1