2-[phenyl(3,4,5,6-tetrahydro-2H-azepin-7-yl)amino]-1-thiophen-2-yl-ethanone hydrobromide

Systemtic Name: 2-[phenyl(3,4,5,6-tetrahydro-2H-azepin-7-yl)amino]-1-thiophen-2-yl-ethanone hydrobromide Openeye Name: 2-[N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)anilino]-1-(2-thienyl)ethanone hydrobromide CAS Name: 2-[N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)anilino]-1-thiophen-2-ylethanone hydrobromide IUPAC Name: 2-[N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)anilino]-1-thiophen-2-ylethanone hydrobromide Traditional Name: 2-[N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)anilino]-1-(2-thienyl)ethanone hydrobromide Formula: C18H21BrN2OS MolecularWeight: 393.34114

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=NCC1)N(CC(=O)C2=CC=CS2)C3=CC=CC=C3.Br

Isomeric SMILES

C1CCC(=NCC1)N(CC(=O)C2=CC=CS2)C3=CC=CC=C3.Br

InChI

InChI=1S/C18H20N2OS.BrH/c21-16(17-10-7-13-22-17)14-20(15-8-3-1-4-9-15)18-11-5-2-6-12-19-18;/h1,3-4,7-10,13H,2,5-6,11-12,14H2;1H