1-[4-(3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]butan-2-ol

Systemtic Name: 1-[4-(3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]butan-2-ol Openeye Name: 1-[4-(3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]butan-2-ol CAS Name: 1-[4-[3-(methylthio)-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]-1-piperazinyl]-2-butanol IUPAC Name: 1-[4-(3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]butan-2-ol Traditional Name: 1-[4-[3-(methylthio)-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazino]butan-2-ol Formula: C23H30N2OS2 MolecularWeight: 414.6271

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CN1CCN(CC1)C2CC3=CC=CC=C3SC4=C2C=C(C=C4)SC)O

Isomeric SMILES

CCC(CN1CCN(CC1)C2CC3=CC=CC=C3SC4=C2C=C(C=C4)SC)O

InChI

InChI=1S/C23H30N2OS2/c1-3-18(26)16-24-10-12-25(13-11-24)21-14-17-6-4-5-7-22(17)28-23-9-8-19(27-2)15-20(21)23/h4-9,15,18,21,26H,3,10-14,16H2,1-2H3