4-[4-(2-methylsulfanyl-6H-benzo[c][1]benzothiepin-11-ylidene)piperidin-1-yl]butan-2-one

Systemtic Name: 4-[4-(2-methylsulfanyl-6H-benzo[c][1]benzothiepin-11-ylidene)piperidin-1-yl]butan-2-one Openeye Name: 4-[4-(2-methylsulfanyl-6H-benzo[c][1]benzothiepin-11-ylidene)-1-piperidyl]butan-2-one CAS Name: 4-[4-[2-(methylthio)-6H-benzo[c][1]benzothiepin-11-ylidene]-1-piperidinyl]-2-butanone IUPAC Name: 4-[4-(2-methylsulfanyl-6H-benzo[c][1]benzothiepin-11-ylidene)piperidin-1-yl]butan-2-one Traditional Name: 4-[4-[2-(methylthio)-6H-benzo[c][1]benzothiepin-11-ylidene]piperidino]butan-2-one Formula: C24H27NOS2 MolecularWeight: 409.60728

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCN1CCC(=C2C3=CC=CC=C3CSC4=C2C=C(C=C4)SC)CC1

Isomeric SMILES

CC(=O)CCN1CCC(=C2C3=CC=CC=C3CSC4=C2C=C(C=C4)SC)CC1

InChI

InChI=1S/C24H27NOS2/c1-17(26)9-12-25-13-10-18(11-14-25)24-21-6-4-3-5-19(21)16-28-23-8-7-20(27-2)15-22(23)24/h3-8,15H,9-14,16H2,1-2H3