2-[4-(3-bromanylthiophen-2-yl)carbonyl-1,4-diazepan-1-yl]-N-phenyl-ethanamide

Systemtic Name: 2-[4-(3-bromanylthiophen-2-yl)carbonyl-1,4-diazepan-1-yl]-N-phenyl-ethanamide Openeye Name: 2-[4-(3-bromothiophene-2-carbonyl)-1,4-diazepan-1-yl]-N-phenyl-acetamide CAS Name: 2-[4-[(3-bromo-2-thiophenyl)-oxomethyl]-1,4-diazepan-1-yl]-N-phenylacetamide IUPAC Name: 2-[4-(3-bromothiophene-2-carbonyl)-1,4-diazepan-1-yl]-N-phenylacetamide Traditional Name: 2-[4-(3-bromothiophene-2-carbonyl)-1,4-diazepan-1-yl]-N-phenyl-acetamide Formula: C18H20BrN3O2S MolecularWeight: 422.3393

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=C(C=CS2)Br)CC(=O)NC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=C(C=CS2)Br)CC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C18H20BrN3O2S/c19-15-7-12-25-17(15)18(24)22-9-4-8-21(10-11-22)13-16(23)20-14-5-2-1-3-6-14/h1-3,5-7,12H,4,8-11,13H2,(H,20,23)