N-(2-ethyl-6-methyl-phenyl)-4-thieno[3,2-b]thiophen-5-ylcarbonyl-1,4-diazepane-1-carboxamide

Systemtic Name: N-(2-ethyl-6-methyl-phenyl)-4-thieno[3,2-b]thiophen-5-ylcarbonyl-1,4-diazepane-1-carboxamide Openeye Name: N-(2-ethyl-6-methyl-phenyl)-4-(thieno[3,2-b]thiophene-5-carbonyl)-1,4-diazepane-1-carboxamide CAS Name: N-(2-ethyl-6-methylphenyl)-4-[oxo(5-thieno[3,2-b]thiophenyl)methyl]-1,4-diazepane-1-carboxamide IUPAC Name: N-(2-ethyl-6-methylphenyl)-4-(thieno[3,2-b]thiophene-5-carbonyl)-1,4-diazepane-1-carboxamide Traditional Name: N-(2-ethyl-6-methyl-phenyl)-4-(thieno[3,2-b]thiophene-5-carbonyl)-1,4-diazepane-1-carboxamide Formula: C22H25N3O2S2 MolecularWeight: 427.5828

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)N2CCCN(CC2)C(=O)C3=CC4=C(S3)C=CS4)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)N2CCCN(CC2)C(=O)C3=CC4=C(S3)C=CS4)C

InChI

InChI=1S/C22H25N3O2S2/c1-3-16-7-4-6-15(2)20(16)23-22(27)25-10-5-9-24(11-12-25)21(26)19-14-18-17(29-19)8-13-28-18/h4,6-8,13-14H,3,5,9-12H2,1-2H3,(H,23,27)