(6Z)-6-[[[4-(3-chloranyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]amino]methylidene]cyclohexa-2,4-dien-1-one

Systemtic Name: (6Z)-6-[[[4-(3-chloranyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]amino]methylidene]cyclohexa-2,4-dien-1-one Openeye Name: (6Z)-6-[[[4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]amino]methylene]cyclohexa-2,4-dien-1-one CAS Name: (6Z)-6-[[[4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-1-piperazinyl]amino]methylidene]-1-cyclohexa-2,4-dienone IUPAC Name: (6Z)-6-[[[4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]amino]methylidene]cyclohexa-2,4-dien-1-one Traditional Name: (6Z)-6-[[[4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazino]amino]methylene]cyclohexa-2,4-dien-1-one Formula: C25H24ClN3OS MolecularWeight: 449.99556

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2CC3=CC=CC=C3SC4=C2C=C(C=C4)Cl)NC=C5C=CC=CC5=O

Isomeric SMILES

C1CN(CCN1C2CC3=CC=CC=C3SC4=C2C=C(C=C4)Cl)N/C=C\5/C=CC=CC5=O

InChI

InChI=1S/C25H24ClN3OS/c26-20-9-10-25-21(16-20)22(15-18-5-2-4-8-24(18)31-25)28-11-13-29(14-12-28)27-17-19-6-1-3-7-23(19)30/h1-10,16-17,22,27H,11-15H2/b19-17-