1-[3-(5,6-dihydrobenzo[b][1]benzothiepin-5-ylsulfanyl)propyl]-4-methyl-piperazine

Systemtic Name: 1-[3-(5,6-dihydrobenzo[b][1]benzothiepin-5-ylsulfanyl)propyl]-4-methyl-piperazine Openeye Name: 1-[3-(5,6-dihydrobenzo[b][1]benzothiepin-5-ylsulfanyl)propyl]-4-methyl-piperazine CAS Name: 1-[3-(5,6-dihydrobenzo[b][1]benzothiepin-5-ylthio)propyl]-4-methylpiperazine IUPAC Name: 1-[3-(5,6-dihydrobenzo[b][1]benzothiepin-5-ylsulfanyl)propyl]-4-methylpiperazine Traditional Name: 1-[3-(5,6-dihydrobenzo[b][1]benzothiepin-5-ylthio)propyl]-4-methyl-piperazine Formula: C22H28N2S2 MolecularWeight: 384.60112

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCCSC2CC3=CC=CC=C3SC4=CC=CC=C24

Isomeric SMILES

CN1CCN(CC1)CCCSC2CC3=CC=CC=C3SC4=CC=CC=C24

InChI

InChI=1S/C22H28N2S2/c1-23-12-14-24(15-13-23)11-6-16-25-22-17-18-7-2-4-9-20(18)26-21-10-5-3-8-19(21)22/h2-5,7-10,22H,6,11-17H2,1H3