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

Systemtic Name: N-phenethyl-4-thieno[3,2-b]thiophen-5-ylcarbonyl-1,4-diazepane-1-carboxamide Openeye Name: N-phenethyl-4-(thieno[3,2-b]thiophene-5-carbonyl)-1,4-diazepane-1-carboxamide CAS Name: 4-[oxo(5-thieno[3,2-b]thiophenyl)methyl]-N-phenethyl-1,4-diazepane-1-carboxamide IUPAC Name: N-phenethyl-4-(thieno[3,2-b]thiophene-5-carbonyl)-1,4-diazepane-1-carboxamide Traditional Name: N-phenethyl-4-(thieno[3,2-b]thiophene-5-carbonyl)-1,4-diazepane-1-carboxamide Formula: C21H23N3O2S2 MolecularWeight: 413.55622

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)NCCC2=CC=CC=C2)C(=O)C3=CC4=C(S3)C=CS4

Isomeric SMILES

C1CN(CCN(C1)C(=O)NCCC2=CC=CC=C2)C(=O)C3=CC4=C(S3)C=CS4

InChI

InChI=1S/C21H23N3O2S2/c25-20(19-15-18-17(28-19)8-14-27-18)23-10-4-11-24(13-12-23)21(26)22-9-7-16-5-2-1-3-6-16/h1-3,5-6,8,14-15H,4,7,9-13H2,(H,22,26)