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

Systemtic Name: 1-(3-ethylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methyl-piperazine Openeye Name: 1-(3-ethylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methyl-piperazine CAS Name: 1-[3-(ethylthio)-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]-4-methylpiperazine IUPAC Name: 1-(3-ethylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methylpiperazine Traditional Name: 1-[3-(ethylthio)-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]-4-methyl-piperazine Formula: C21H26N2S2 MolecularWeight: 370.57454

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC2=C(C=C1)SC3=CC=CC=C3CC2N4CCN(CC4)C

Isomeric SMILES

CCSC1=CC2=C(C=C1)SC3=CC=CC=C3CC2N4CCN(CC4)C

InChI

InChI=1S/C21H26N2S2/c1-3-24-17-8-9-21-18(15-17)19(23-12-10-22(2)11-13-23)14-16-6-4-5-7-20(16)25-21/h4-9,15,19H,3,10-14H2,1-2H3