N-(2,3-dimethylphenyl)-2-[4-[(2-sulfanylidene-1H-pyridin-3-yl)carbonyl]piperazin-1-yl]ethanamide

Systemtic Name: N-(2,3-dimethylphenyl)-2-[4-[(2-sulfanylidene-1H-pyridin-3-yl)carbonyl]piperazin-1-yl]ethanamide Openeye Name: N-(2,3-dimethylphenyl)-2-[4-(2-thioxo-1H-pyridine-3-carbonyl)piperazin-1-yl]acetamide CAS Name: N-(2,3-dimethylphenyl)-2-[4-[oxo-(2-sulfanylidene-1H-pyridin-3-yl)methyl]-1-piperazinyl]acetamide IUPAC Name: N-(2,3-dimethylphenyl)-2-[4-(2-sulfanylidene-1H-pyridine-3-carbonyl)piperazin-1-yl]acetamide Traditional Name: N-(2,3-dimethylphenyl)-2-[4-(2-thioxo-1H-pyridine-3-carbonyl)piperazino]acetamide Formula: C20H24N4O2S MolecularWeight: 384.49516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)CN2CCN(CC2)C(=O)C3=CC=CNC3=S)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)CN2CCN(CC2)C(=O)C3=CC=CNC3=S)C

InChI

InChI=1S/C20H24N4O2S/c1-14-5-3-7-17(15(14)2)22-18(25)13-23-9-11-24(12-10-23)20(26)16-6-4-8-21-19(16)27/h3-8H,9-13H2,1-2H3,(H,21,27)(H,22,25)