2-[4-[(3-chloranyl-1-benzothiophen-2-yl)carbonyl]-1,4-diazepan-1-yl]-N,N-dimethyl-ethanamide

Systemtic Name: 2-[4-[(3-chloranyl-1-benzothiophen-2-yl)carbonyl]-1,4-diazepan-1-yl]-N,N-dimethyl-ethanamide Openeye Name: 2-[4-(3-chlorobenzothiophene-2-carbonyl)-1,4-diazepan-1-yl]-N,N-dimethyl-acetamide CAS Name: 2-[4-[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]-1,4-diazepan-1-yl]-N,N-dimethylacetamide IUPAC Name: 2-[4-(3-chloro-1-benzothiophene-2-carbonyl)-1,4-diazepan-1-yl]-N,N-dimethylacetamide Traditional Name: 2-[4-(3-chlorobenzothiophene-2-carbonyl)-1,4-diazepan-1-yl]-N,N-dimethyl-acetamide Formula: C18H22ClN3O2S MolecularWeight: 379.90418

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)CN1CCCN(CC1)C(=O)C2=C(C3=CC=CC=C3S2)Cl

Isomeric SMILES

CN(C)C(=O)CN1CCCN(CC1)C(=O)C2=C(C3=CC=CC=C3S2)Cl

InChI

InChI=1S/C18H22ClN3O2S/c1-20(2)15(23)12-21-8-5-9-22(11-10-21)18(24)17-16(19)13-6-3-4-7-14(13)25-17/h3-4,6-7H,5,8-12H2,1-2H3