N-(4-ethanoylphenyl)-4-thieno[3,2-b]thiophen-5-ylcarbonyl-1,4-diazepane-1-carboxamide

Systemtic Name: N-(4-ethanoylphenyl)-4-thieno[3,2-b]thiophen-5-ylcarbonyl-1,4-diazepane-1-carboxamide Openeye Name: N-(4-acetylphenyl)-4-(thieno[3,2-b]thiophene-5-carbonyl)-1,4-diazepane-1-carboxamide CAS Name: N-(4-acetylphenyl)-4-[oxo(5-thieno[3,2-b]thiophenyl)methyl]-1,4-diazepane-1-carboxamide IUPAC Name: N-(4-acetylphenyl)-4-(thieno[3,2-b]thiophene-5-carbonyl)-1,4-diazepane-1-carboxamide Traditional Name: N-(4-acetylphenyl)-4-(thieno[3,2-b]thiophene-5-carbonyl)-1,4-diazepane-1-carboxamide Formula: C21H21N3O3S2 MolecularWeight: 427.53974

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O3S2/c1-14(25)15-3-5-16(6-4-15)22-21(27)24-9-2-8-23(10-11-24)20(26)19-13-18-17(29-19)7-12-28-18/h3-7,12-13H,2,8-11H2,1H3,(H,22,27)