2-oxidanylidene-1-phenacyl-4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)thieno[3,4-b]pyridine-3-carbonitrile

Systemtic Name: 2-oxidanylidene-1-phenacyl-4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)thieno[3,4-b]pyridine-3-carbonitrile Openeye Name: 2-oxo-1-phenacyl-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]thieno[3,4-b]pyridine-3-carbonitrile CAS Name: 2-oxo-4-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]-1-phenacyl-3-thieno[3,4-b]pyridinecarbonitrile IUPAC Name: 2-oxo-1-phenacyl-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]thieno[3,4-b]pyridine-3-carbonitrile Traditional Name: 2-keto-1-phenacyl-4-[4-(2-thenoyl)piperazino]thieno[3,4-b]pyridine-3-carbonitrile Formula: C25H20N4O3S2 MolecularWeight: 488.5813

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C(=O)N(C3=CSC=C32)CC(=O)C4=CC=CC=C4)C#N)C(=O)C5=CC=CS5

Isomeric SMILES

C1CN(CCN1C2=C(C(=O)N(C3=CSC=C32)CC(=O)C4=CC=CC=C4)C#N)C(=O)C5=CC=CS5

InChI

InChI=1S/C25H20N4O3S2/c26-13-18-23(27-8-10-28(11-9-27)25(32)22-7-4-12-34-22)19-15-33-16-20(19)29(24(18)31)14-21(30)17-5-2-1-3-6-17/h1-7,12,15-16H,8-11,14H2