4-[[4-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]carbonyl]piperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]carbonyl]piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[2-(4-isopropylphenyl)thiazole-4-carbonyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[oxo-[2-(4-propan-2-ylphenyl)-4-thiazolyl]methyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-[2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(2-p-cumenylthiazole-4-carbonyl)piperazino]methyl]benzonitrile Formula: C25H26N4OS MolecularWeight: 430.56514

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2=NC(=CS2)C(=O)N3CCN(CC3)CC4=CC=C(C=C4)C#N

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2=NC(=CS2)C(=O)N3CCN(CC3)CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C25H26N4OS/c1-18(2)21-7-9-22(10-8-21)24-27-23(17-31-24)25(30)29-13-11-28(12-14-29)16-20-5-3-19(15-26)4-6-20/h3-10,17-18H,11-14,16H2,1-2H3