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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1CC2=C(C=CC(=C2)Cl)SC3=CC=CC=C13

Isomeric SMILES

CCCCNC1CC2=C(C=CC(=C2)Cl)SC3=CC=CC=C13

InChI

InChI=1S/C18H20ClNS/c1-2-3-10-20-16-12-13-11-14(19)8-9-17(13)21-18-7-5-4-6-15(16)18/h4-9,11,16,20H,2-3,10,12H2,1H3