3-chloranyl-N,N-bis(2-chloroethyl)-5,6-dihydrobenzo[b][1]benzothiepin-5-amine

Systemtic Name: 3-chloranyl-N,N-bis(2-chloroethyl)-5,6-dihydrobenzo[b][1]benzothiepin-5-amine Openeye Name: 3-chloro-N,N-bis(2-chloroethyl)-5,6-dihydrobenzo[b][1]benzothiepin-5-amine CAS Name: 3-chloro-N,N-bis(2-chloroethyl)-5,6-dihydrobenzo[b][1]benzothiepin-5-amine IUPAC Name: 3-chloro-N,N-bis(2-chloroethyl)-5,6-dihydrobenzo[b][1]benzothiepin-5-amine Traditional Name: (3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-bis(2-chloroethyl)amine Formula: C18H18Cl3NS MolecularWeight: 386.76622

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C2=C(C=CC(=C2)Cl)SC3=CC=CC=C31)N(CCCl)CCCl

Isomeric SMILES

C1C(C2=C(C=CC(=C2)Cl)SC3=CC=CC=C31)N(CCCl)CCCl

InChI

InChI=1S/C18H18Cl3NS/c19-7-9-22(10-8-20)16-11-13-3-1-2-4-17(13)23-18-6-5-14(21)12-15(16)18/h1-6,12,16H,7-11H2