3-[4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]carbonylbenzenecarbonitrile

Systemtic Name: 3-[4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]carbonylbenzenecarbonitrile Openeye Name: 3-[4-[[4-(4-methoxyphenyl)thiazol-2-yl]methyl]piperazine-1-carbonyl]benzonitrile CAS Name: 3-[[4-[[4-(4-methoxyphenyl)-2-thiazolyl]methyl]-1-piperazinyl]-oxomethyl]benzonitrile IUPAC Name: 3-[4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]piperazine-1-carbonyl]benzonitrile Traditional Name: 3-[4-[[4-(4-methoxyphenyl)thiazol-2-yl]methyl]piperazine-1-carbonyl]benzonitrile Formula: C23H22N4O2S MolecularWeight: 418.51138

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CSC(=N2)CN3CCN(CC3)C(=O)C4=CC=CC(=C4)C#N

Isomeric SMILES

COC1=CC=C(C=C1)C2=CSC(=N2)CN3CCN(CC3)C(=O)C4=CC=CC(=C4)C#N

InChI

InChI=1S/C23H22N4O2S/c1-29-20-7-5-18(6-8-20)21-16-30-22(25-21)15-26-9-11-27(12-10-26)23(28)19-4-2-3-17(13-19)14-24/h2-8,13,16H,9-12,15H2,1H3