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

Systemtic Name: (4-methylsulfonylphenyl)-(4-thieno[3,2-b]thiophen-5-ylcarbonyl-1,4-diazepan-1-yl)methanone Openeye Name: (4-methylsulfonylphenyl)-[4-(thieno[3,2-b]thiophene-5-carbonyl)-1,4-diazepan-1-yl]methanone CAS Name: (4-methylsulfonylphenyl)-[4-[oxo(5-thieno[3,2-b]thiophenyl)methyl]-1,4-diazepan-1-yl]methanone IUPAC Name: (4-methylsulfonylphenyl)-[4-(thieno[3,2-b]thiophene-5-carbonyl)-1,4-diazepan-1-yl]methanone Traditional Name: (4-mesylphenyl)-[4-(thieno[3,2-b]thiophene-5-carbonyl)-1,4-diazepan-1-yl]methanone Formula: C20H20N2O4S3 MolecularWeight: 448.5788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O4S3/c1-29(25,26)15-5-3-14(4-6-15)19(23)21-8-2-9-22(11-10-21)20(24)18-13-17-16(28-18)7-12-27-17/h3-7,12-13H,2,8-11H2,1H3