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

Systemtic Name: 1-(3-chloranylpropyl)-4-(3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine Openeye Name: 1-(3-chloropropyl)-4-(3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine CAS Name: 1-(3-chloropropyl)-4-[3-(methylthio)-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazine IUPAC Name: 1-(3-chloropropyl)-4-(3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine Traditional Name: 1-(3-chloropropyl)-4-[3-(methylthio)-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazine Formula: C22H27ClN2S2 MolecularWeight: 419.04618

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=C(C=C1)SC3=CC=CC=C3CC2N4CCN(CC4)CCCCl

Isomeric SMILES

CSC1=CC2=C(C=C1)SC3=CC=CC=C3CC2N4CCN(CC4)CCCCl

InChI

InChI=1S/C22H27ClN2S2/c1-26-18-7-8-22-19(16-18)20(15-17-5-2-3-6-21(17)27-22)25-13-11-24(12-14-25)10-4-9-23/h2-3,5-8,16,20H,4,9-15H2,1H3