2-bromanyl-1'-methyl-9-methylsulfanyl-spiro[benzo[b][1]benzothiepine-6,4'-piperidine]-5-one

Systemtic Name: 2-bromanyl-1'-methyl-9-methylsulfanyl-spiro[benzo[b][1]benzothiepine-6,4'-piperidine]-5-one Openeye Name: 2-bromo-1'-methyl-9-methylsulfanyl-spiro[benzo[b][1]benzothiepine-6,4'-piperidine]-5-one CAS Name: 2-bromo-1'-methyl-9-(methylthio)-5-spiro[benzo[b][1]benzothiepin-6,4'-piperidine]one IUPAC Name: 2-bromo-1'-methyl-9-methylsulfanylspiro[benzo[b][1]benzothiepine-6,4'-piperidine]-5-one Traditional Name: 2-bromo-1'-methyl-9-(methylthio)spiro[benzo[b][1]benzothiepin-6,4'-piperidine]-5-one Formula: C20H20BrNOS2 MolecularWeight: 434.4129

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC2(CC1)C3=C(C=C(C=C3)SC)SC4=C(C2=O)C=CC(=C4)Br

Isomeric SMILES

CN1CCC2(CC1)C3=C(C=C(C=C3)SC)SC4=C(C2=O)C=CC(=C4)Br

InChI

InChI=1S/C20H20BrNOS2/c1-22-9-7-20(8-10-22)16-6-4-14(24-2)12-18(16)25-17-11-13(21)3-5-15(17)19(20)23/h3-6,11-12H,7-10H2,1-2H3