1-(2-dimethylaminoethyl)-2-oxidanylidene-4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)quinoline-3-carbonitrile

Systemtic Name: 1-(2-dimethylaminoethyl)-2-oxidanylidene-4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)quinoline-3-carbonitrile Openeye Name: 1-(2-dimethylaminoethyl)-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile CAS Name: 1-(2-dimethylaminoethyl)-2-oxo-4-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]-3-quinolinecarbonitrile IUPAC Name: 1-(2-dimethylaminoethyl)-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile Traditional Name: 1-(2-dimethylaminoethyl)-2-keto-4-[4-(2-thenoyl)piperazino]quinoline-3-carbonitrile Formula: C23H25N5O2S MolecularWeight: 435.5419

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN1C2=CC=CC=C2C(=C(C1=O)C#N)N3CCN(CC3)C(=O)C4=CC=CS4

Isomeric SMILES

CN(C)CCN1C2=CC=CC=C2C(=C(C1=O)C#N)N3CCN(CC3)C(=O)C4=CC=CS4

InChI

InChI=1S/C23H25N5O2S/c1-25(2)9-14-28-19-7-4-3-6-17(19)21(18(16-24)22(28)29)26-10-12-27(13-11-26)23(30)20-8-5-15-31-20/h3-8,15H,9-14H2,1-2H3