1-[1-benzothiophen-2-yl-(5-bromanyl-2-ethoxy-phenyl)methyl]-1,4-diazepane

Systemtic Name: 1-[1-benzothiophen-2-yl-(5-bromanyl-2-ethoxy-phenyl)methyl]-1,4-diazepane Openeye Name: 1-[benzothiophen-2-yl-(5-bromo-2-ethoxy-phenyl)methyl]-1,4-diazepane CAS Name: 1-[1-benzothiophen-2-yl-(5-bromo-2-ethoxyphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[1-benzothiophen-2-yl-(5-bromo-2-ethoxyphenyl)methyl]-1,4-diazepane Traditional Name: 1-[benzothiophen-2-yl-(5-bromo-2-ethoxy-phenyl)methyl]-1,4-diazepane Formula: C22H25BrN2OS MolecularWeight: 445.4157

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)C(C2=CC3=CC=CC=C3S2)N4CCCNCC4

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)C(C2=CC3=CC=CC=C3S2)N4CCCNCC4

InChI

InChI=1S/C22H25BrN2OS/c1-2-26-19-9-8-17(23)15-18(19)22(25-12-5-10-24-11-13-25)21-14-16-6-3-4-7-20(16)27-21/h3-4,6-9,14-15,22,24H,2,5,10-13H2,1H3