N-[2-(dimethylamino)-2-thiophen-2-yl-ethyl]-4-ethanoyl-1,4-diazepane-1-carboxamide

Systemtic Name: N-[2-(dimethylamino)-2-thiophen-2-yl-ethyl]-4-ethanoyl-1,4-diazepane-1-carboxamide Openeye Name: 4-acetyl-N-[2-(dimethylamino)-2-(2-thienyl)ethyl]-1,4-diazepane-1-carboxamide CAS Name: 4-acetyl-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1,4-diazepane-1-carboxamide IUPAC Name: 4-acetyl-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1,4-diazepane-1-carboxamide Traditional Name: 4-acetyl-N-[2-(dimethylamino)-2-(2-thienyl)ethyl]-1,4-diazepane-1-carboxamide Formula: C16H26N4O2S MolecularWeight: 338.46824

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCCN(CC1)C(=O)NCC(C2=CC=CS2)N(C)C

Isomeric SMILES

CC(=O)N1CCCN(CC1)C(=O)NCC(C2=CC=CS2)N(C)C

InChI

InChI=1S/C16H26N4O2S/c1-13(21)19-7-5-8-20(10-9-19)16(22)17-12-14(18(2)3)15-6-4-11-23-15/h4,6,11,14H,5,7-10,12H2,1-3H3,(H,17,22)