2-(3,4-dimethoxyphenyl)-1-(4-thieno[3,2-b]thiophen-5-ylcarbonyl-1,4-diazepan-1-yl)ethanone

Systemtic Name: 2-(3,4-dimethoxyphenyl)-1-(4-thieno[3,2-b]thiophen-5-ylcarbonyl-1,4-diazepan-1-yl)ethanone Openeye Name: 2-(3,4-dimethoxyphenyl)-1-[4-(thieno[3,2-b]thiophene-5-carbonyl)-1,4-diazepan-1-yl]ethanone CAS Name: 2-(3,4-dimethoxyphenyl)-1-[4-[oxo(5-thieno[3,2-b]thiophenyl)methyl]-1,4-diazepan-1-yl]ethanone IUPAC Name: 2-(3,4-dimethoxyphenyl)-1-[4-(thieno[3,2-b]thiophene-5-carbonyl)-1,4-diazepan-1-yl]ethanone Traditional Name: 2-(3,4-dimethoxyphenyl)-1-[4-(thieno[3,2-b]thiophene-5-carbonyl)-1,4-diazepan-1-yl]ethanone Formula: C22H24N2O4S2 MolecularWeight: 444.56696

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC(=O)N2CCCN(CC2)C(=O)C3=CC4=C(S3)C=CS4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC(=O)N2CCCN(CC2)C(=O)C3=CC4=C(S3)C=CS4)OC

InChI

InChI=1S/C22H24N2O4S2/c1-27-16-5-4-15(12-17(16)28-2)13-21(25)23-7-3-8-24(10-9-23)22(26)20-14-19-18(30-20)6-11-29-19/h4-6,11-12,14H,3,7-10,13H2,1-2H3