2-[4-[[2-(4-ethylphenyl)-1,3-thiazol-4-yl]carbonyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[[2-(4-ethylphenyl)-1,3-thiazol-4-yl]carbonyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[2-(4-ethylphenyl)thiazole-4-carbonyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[[2-(4-ethylphenyl)-4-thiazolyl]-oxomethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[2-(4-ethylphenyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[2-(4-ethylphenyl)thiazole-4-carbonyl]piperazino]sulfonylbenzonitrile Formula: C23H22N4O3S2 MolecularWeight: 466.57578

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC(=CS2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC(=CS2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C23H22N4O3S2/c1-2-17-7-9-18(10-8-17)22-25-20(16-31-22)23(28)26-11-13-27(14-12-26)32(29,30)21-6-4-3-5-19(21)15-24/h3-10,16H,2,11-14H2,1H3