1-[3-(dimethylamino)propyl]-2-oxidanylidene-4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)quinoline-3-carbonitrile

Systemtic Name: 1-[3-(dimethylamino)propyl]-2-oxidanylidene-4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)quinoline-3-carbonitrile Openeye Name: 1-[3-(dimethylamino)propyl]-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile CAS Name: 1-[3-(dimethylamino)propyl]-2-oxo-4-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]-3-quinolinecarbonitrile IUPAC Name: 1-[3-(dimethylamino)propyl]-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile Traditional Name: 1-[3-(dimethylamino)propyl]-2-keto-4-[4-(2-thenoyl)piperazino]quinoline-3-carbonitrile Formula: C24H27N5O2S MolecularWeight: 449.56848

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCN1C2=CC=CC=C2C(=C(C1=O)C#N)N3CCN(CC3)C(=O)C4=CC=CS4

Isomeric SMILES

CN(C)CCCN1C2=CC=CC=C2C(=C(C1=O)C#N)N3CCN(CC3)C(=O)C4=CC=CS4

InChI

InChI=1S/C24H27N5O2S/c1-26(2)10-6-11-29-20-8-4-3-7-18(20)22(19(17-25)23(29)30)27-12-14-28(15-13-27)24(31)21-9-5-16-32-21/h3-5,7-9,16H,6,10-15H2,1-2H3