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

Systemtic Name: 1-(3-chloranyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-(2-phenylsulfanylethyl)piperazine Openeye Name: 1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-(2-phenylsulfanylethyl)piperazine CAS Name: 1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-[2-(phenylthio)ethyl]piperazine IUPAC Name: 1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-(2-phenylsulfanylethyl)piperazine Traditional Name: 1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-[2-(phenylthio)ethyl]piperazine Formula: C26H27ClN2S2 MolecularWeight: 467.08898

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCSC2=CC=CC=C2)C3CC4=CC=CC=C4SC5=C3C=C(C=C5)Cl

Isomeric SMILES

C1CN(CCN1CCSC2=CC=CC=C2)C3CC4=CC=CC=C4SC5=C3C=C(C=C5)Cl

InChI

InChI=1S/C26H27ClN2S2/c27-21-10-11-26-23(19-21)24(18-20-6-4-5-9-25(20)31-26)29-14-12-28(13-15-29)16-17-30-22-7-2-1-3-8-22/h1-11,19,24H,12-18H2