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

Systemtic Name: 1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]ethanone Openeye Name: 1-[4-(1,3-benzothiazol-2-yl)-1-piperidyl]-2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]ethanone CAS Name: 1-[4-(1,3-benzothiazol-2-yl)-1-piperidinyl]-2-[(4-methoxy-3-nitrophenyl)methylthio]ethanone IUPAC Name: 1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-[(4-methoxy-3-nitrophenyl)methylsulfanyl]ethanone Traditional Name: 1-[4-(1,3-benzothiazol-2-yl)piperidino]-2-[(4-methoxy-3-nitro-benzyl)thio]ethanone Formula: C22H23N3O4S2 MolecularWeight: 457.56572

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CSCC(=O)N2CCC(CC2)C3=NC4=CC=CC=C4S3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)CSCC(=O)N2CCC(CC2)C3=NC4=CC=CC=C4S3)[N+](=O)[O-]

InChI

InChI=1S/C22H23N3O4S2/c1-29-19-7-6-15(12-18(19)25(27)28)13-30-14-21(26)24-10-8-16(9-11-24)22-23-17-4-2-3-5-20(17)31-22/h2-7,12,16H,8-11,13-14H2,1H3