1-(3-iodanyl-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)piperazine

Systemtic Name: 1-(3-iodanyl-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)piperazine Openeye Name: 1-(3-iodo-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)piperazine CAS Name: 1-(3-iodo-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)piperazine IUPAC Name: 1-(3-iodo-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)piperazine Traditional Name: 1-(3-iodo-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)piperazine Formula: C18H19IN2S MolecularWeight: 422.32633

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2CC3=C(C=CC(=C3)I)SC4=CC=CC=C24

Isomeric SMILES

C1CN(CCN1)C2CC3=C(C=CC(=C3)I)SC4=CC=CC=C24

InChI

InChI=1S/C18H19IN2S/c19-14-5-6-17-13(11-14)12-16(21-9-7-20-8-10-21)15-3-1-2-4-18(15)22-17/h1-6,11,16,20H,7-10,12H2