3-chloranyl-N,N-diethyl-5,6-dihydrobenzo[b][1]benzothiepin-6-amine

Systemtic Name: 3-chloranyl-N,N-diethyl-5,6-dihydrobenzo[b][1]benzothiepin-6-amine Openeye Name: 3-chloro-N,N-diethyl-5,6-dihydrobenzo[b][1]benzothiepin-6-amine CAS Name: 3-chloro-N,N-diethyl-5,6-dihydrobenzo[b][1]benzothiepin-6-amine IUPAC Name: 3-chloro-N,N-diethyl-5,6-dihydrobenzo[b][1]benzothiepin-6-amine Traditional Name: (3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-diethyl-amine Formula: C18H20ClNS MolecularWeight: 317.8761

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1CC2=C(C=CC(=C2)Cl)SC3=CC=CC=C13

Isomeric SMILES

CCN(CC)C1CC2=C(C=CC(=C2)Cl)SC3=CC=CC=C13

InChI

InChI=1S/C18H20ClNS/c1-3-20(4-2)16-12-13-11-14(19)9-10-17(13)21-18-8-6-5-7-15(16)18/h5-11,16H,3-4,12H2,1-2H3