N-[4-(3-chloranyl-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)piperazin-1-yl]-1-phenyl-methanimine

Systemtic Name: N-[4-(3-chloranyl-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)piperazin-1-yl]-1-phenyl-methanimine Openeye Name: N-[4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)piperazin-1-yl]-1-phenyl-methanimine CAS Name: N-[4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-1-piperazinyl]-1-phenylmethanimine IUPAC Name: N-[4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)piperazin-1-yl]-1-phenylmethanimine Traditional Name: (E)-benzal-[4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)piperazino]amine Formula: C25H24ClN3S MolecularWeight: 433.99616

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2CC3=C(C=CC(=C3)Cl)SC4=CC=CC=C24)N=CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2CC3=C(C=CC(=C3)Cl)SC4=CC=CC=C24)/N=C/C5=CC=CC=C5

InChI

InChI=1S/C25H24ClN3S/c26-21-10-11-24-20(16-21)17-23(22-8-4-5-9-25(22)30-24)28-12-14-29(15-13-28)27-18-19-6-2-1-3-7-19/h1-11,16,18,23H,12-15,17H2/b27-18+