1-[3,10-bis(chloranyl)-5,6-dihydrobenzo[b][1]benzothiepin-6-yl]-4-methyl-piperazine

Systemtic Name: 1-[3,10-bis(chloranyl)-5,6-dihydrobenzo[b][1]benzothiepin-6-yl]-4-methyl-piperazine Openeye Name: 1-(3,10-dichloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-4-methyl-piperazine CAS Name: 1-(3,10-dichloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-4-methylpiperazine IUPAC Name: 1-(3,10-dichloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-4-methylpiperazine Traditional Name: 1-(3,10-dichloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-4-methyl-piperazine Formula: C19H20Cl2N2S MolecularWeight: 379.3465

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2CC3=C(C=CC(=C3)Cl)SC4=C2C=CC=C4Cl

Isomeric SMILES

CN1CCN(CC1)C2CC3=C(C=CC(=C3)Cl)SC4=C2C=CC=C4Cl

InChI

InChI=1S/C19H20Cl2N2S/c1-22-7-9-23(10-8-22)17-12-13-11-14(20)5-6-18(13)24-19-15(17)3-2-4-16(19)21/h2-6,11,17H,7-10,12H2,1H3