1,2-dimethyl-4-(3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine

Systemtic Name: 1,2-dimethyl-4-(3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine Openeye Name: 1,2-dimethyl-4-(3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine CAS Name: 1,2-dimethyl-4-[3-(methylthio)-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazine IUPAC Name: 1,2-dimethyl-4-(3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine Traditional Name: 1,2-dimethyl-4-[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:

CC1CN(CCN1C)C2CC3=CC=CC=C3SC4=C2C=C(C=C4)SC

Isomeric SMILES

CC1CN(CCN1C)C2CC3=CC=CC=C3SC4=C2C=C(C=C4)SC

InChI

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