2,5-dimethyl-1-(3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine

Systemtic Name: 2,5-dimethyl-1-(3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine Openeye Name: 2,5-dimethyl-1-(3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine CAS Name: 2,5-dimethyl-1-[3-(methylthio)-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazine IUPAC Name: 2,5-dimethyl-1-(3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine Traditional Name: 2,5-dimethyl-1-[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:

CC1CNC(CN1C2CC3=CC=CC=C3SC4=C2C=C(C=C4)SC)C

Isomeric SMILES

CC1CNC(CN1C2CC3=CC=CC=C3SC4=C2C=C(C=C4)SC)C

InChI

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