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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2CC3=CC=CC=C3SC4=C2C=C(C=C4)Cl)C5CC6=CC=CC=C6SC7=C5C=C(C=C7)Cl

Isomeric SMILES

C1CN(CCN1C2CC3=CC=CC=C3SC4=C2C=C(C=C4)Cl)C5CC6=CC=CC=C6SC7=C5C=C(C=C7)Cl

InChI

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