3-[(4-thieno[3,2-b]thiophen-5-ylcarbonyl-1,4-diazepan-1-yl)carbonyl]benzenecarbonitrile

Systemtic Name: 3-[(4-thieno[3,2-b]thiophen-5-ylcarbonyl-1,4-diazepan-1-yl)carbonyl]benzenecarbonitrile Openeye Name: 3-[4-(thieno[3,2-b]thiophene-5-carbonyl)-1,4-diazepane-1-carbonyl]benzonitrile CAS Name: 3-[oxo-[4-[oxo(5-thieno[3,2-b]thiophenyl)methyl]-1,4-diazepan-1-yl]methyl]benzonitrile IUPAC Name: 3-[4-(thieno[3,2-b]thiophene-5-carbonyl)-1,4-diazepane-1-carbonyl]benzonitrile Traditional Name: 3-[4-(thieno[3,2-b]thiophene-5-carbonyl)-1,4-diazepane-1-carbonyl]benzonitrile Formula: C20H17N3O2S2 MolecularWeight: 395.49788

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CC3=C(S2)C=CS3)C(=O)C4=CC=CC(=C4)C#N

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CC3=C(S2)C=CS3)C(=O)C4=CC=CC(=C4)C#N

InChI

InChI=1S/C20H17N3O2S2/c21-13-14-3-1-4-15(11-14)19(24)22-6-2-7-23(9-8-22)20(25)18-12-17-16(27-18)5-10-26-17/h1,3-5,10-12H,2,6-9H2