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

Systemtic Name: 1,4-bis[(6S)-3-chloranyl-5,6-dihydrobenzo[b][1]benzothiepin-6-yl]piperazine Openeye Name: 1,4-bis[(6S)-3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl]piperazine CAS Name: 1,4-bis[(6S)-3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl]piperazine IUPAC Name: 1,4-bis[(6S)-3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl]piperazine Traditional Name: 1,4-bis[(6S)-3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl]piperazine Formula: C32H28Cl2N2S2 MolecularWeight: 575.61412

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2CC3=C(C=CC(=C3)Cl)SC4=CC=CC=C24)C5CC6=C(C=CC(=C6)Cl)SC7=CC=CC=C57

Isomeric SMILES

C1CN(CCN1[C@H]2CC3=C(C=CC(=C3)Cl)SC4=CC=CC=C24)[C@H]5CC6=C(C=CC(=C6)Cl)SC7=CC=CC=C57

InChI

InChI=1S/C32H28Cl2N2S2/c33-23-9-11-29-21(17-23)19-27(25-5-1-3-7-31(25)37-29)35-13-15-36(16-14-35)28-20-22-18-24(34)10-12-30(22)38-32-8-4-2-6-26(28)32/h1-12,17-18,27-28H,13-16,19-20H2/t27-,28-/m0/s1