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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-4-thieno[3,2-b]thiophen-5-ylcarbonyl-1,4-diazepane-1-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-4-(thieno[3,2-b]thiophene-5-carbonyl)-1,4-diazepane-1-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-4-[oxo(5-thieno[3,2-b]thiophenyl)methyl]-1,4-diazepane-1-carboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-4-(thieno[3,2-b]thiophene-5-carbonyl)-1,4-diazepane-1-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-4-(thieno[3,2-b]thiophene-5-carbonyl)-1,4-diazepane-1-carboxamide Formula: C20H19N3O4S2 MolecularWeight: 429.51256

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)NC2=CC3=C(C=C2)OCO3)C(=O)C4=CC5=C(S4)C=CS5

Isomeric SMILES

C1CN(CCN(C1)C(=O)NC2=CC3=C(C=C2)OCO3)C(=O)C4=CC5=C(S4)C=CS5

InChI

InChI=1S/C20H19N3O4S2/c24-19(18-11-17-16(29-18)4-9-28-17)22-5-1-6-23(8-7-22)20(25)21-13-2-3-14-15(10-13)27-12-26-14/h2-4,9-11H,1,5-8,12H2,(H,21,25)