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

Systemtic Name: N-(2-methoxyphenyl)-4-thieno[3,2-b]thiophen-5-ylcarbonyl-1,4-diazepane-1-carboxamide Openeye Name: N-(2-methoxyphenyl)-4-(thieno[3,2-b]thiophene-5-carbonyl)-1,4-diazepane-1-carboxamide CAS Name: N-(2-methoxyphenyl)-4-[oxo(5-thieno[3,2-b]thiophenyl)methyl]-1,4-diazepane-1-carboxamide IUPAC Name: N-(2-methoxyphenyl)-4-(thieno[3,2-b]thiophene-5-carbonyl)-1,4-diazepane-1-carboxamide Traditional Name: N-(2-methoxyphenyl)-4-(thieno[3,2-b]thiophene-5-carbonyl)-1,4-diazepane-1-carboxamide Formula: C20H21N3O3S2 MolecularWeight: 415.52904

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=O)N2CCCN(CC2)C(=O)C3=CC4=C(S3)C=CS4

Isomeric SMILES

COC1=CC=CC=C1NC(=O)N2CCCN(CC2)C(=O)C3=CC4=C(S3)C=CS4

InChI

InChI=1S/C20H21N3O3S2/c1-26-15-6-3-2-5-14(15)21-20(25)23-9-4-8-22(10-11-23)19(24)18-13-17-16(28-18)7-12-27-17/h2-3,5-7,12-13H,4,8-11H2,1H3,(H,21,25)