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

Systemtic Name: 4-thieno[3,2-b]thiophen-5-ylcarbonyl-N-[3-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide Openeye Name: 4-(thieno[3,2-b]thiophene-5-carbonyl)-N-[3-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide CAS Name: 4-[oxo(5-thieno[3,2-b]thiophenyl)methyl]-N-[3-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide IUPAC Name: 4-(thieno[3,2-b]thiophene-5-carbonyl)-N-[3-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide Traditional Name: 4-(thieno[3,2-b]thiophene-5-carbonyl)-N-[3-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide Formula: C20H18F3N3O2S2 MolecularWeight: 453.50103

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)NC2=CC=CC(=C2)C(F)(F)F)C(=O)C3=CC4=C(S3)C=CS4

Isomeric SMILES

C1CN(CCN(C1)C(=O)NC2=CC=CC(=C2)C(F)(F)F)C(=O)C3=CC4=C(S3)C=CS4

InChI

InChI=1S/C20H18F3N3O2S2/c21-20(22,23)13-3-1-4-14(11-13)24-19(28)26-7-2-6-25(8-9-26)18(27)17-12-16-15(30-17)5-10-29-16/h1,3-5,10-12H,2,6-9H2,(H,24,28)