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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2CC3=CC=CC=C3SC4=C2C=C(C=C4)Cl)N=CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2CC3=CC=CC=C3SC4=C2C=C(C=C4)Cl)/N=C/C5=CC=CC=C5

InChI

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