4-[[4-[4-(2,5-dimethylthiophen-3-yl)-4-oxidanylidene-butanoyl]piperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[4-(2,5-dimethylthiophen-3-yl)-4-oxidanylidene-butanoyl]piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[4-(2,5-dimethyl-3-thienyl)-4-oxo-butanoyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[4-(2,5-dimethyl-3-thiophenyl)-1,4-dioxobutyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-[4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoyl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[4-(2,5-dimethyl-3-thienyl)-4-keto-butanoyl]piperazino]methyl]benzonitrile Formula: C22H25N3O2S MolecularWeight: 395.5178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)C)C(=O)CCC(=O)N2CCN(CC2)CC3=CC=C(C=C3)C#N

Isomeric SMILES

CC1=CC(=C(S1)C)C(=O)CCC(=O)N2CCN(CC2)CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C22H25N3O2S/c1-16-13-20(17(2)28-16)21(26)7-8-22(27)25-11-9-24(10-12-25)15-19-5-3-18(14-23)4-6-19/h3-6,13H,7-12,15H2,1-2H3