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1-methyl-4-(9-methyl-3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine

1-methyl-4-(9-methyl-3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine

Systemtic Name:1-methyl-4-(9-methyl-3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine
Openeye Name:1-methyl-4-(9-methyl-3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine
CAS Name:1-methyl-4-[9-methyl-3-(methylthio)-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazine
IUPAC Name:1-methyl-4-(9-methyl-3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine
Traditional Name:1-methyl-4-[9-methyl-3-(methylthio)-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazine
Formula: C21H26N2S2
MolecularWeight: 370.57454
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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(CC(C3=C(S2)C=CC(=C3)SC)N4CCN(CC4)C)C=C1


Isomeric SMILES

CC1=CC2=C(CC(C3=C(S2)C=CC(=C3)SC)N4CCN(CC4)C)C=C1


InChI

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


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