(3,4-dimethoxyphenyl)-[4-[(2-sulfanylidene-1H-pyridin-3-yl)carbonyl]piperazin-1-yl]methanone

Systemtic Name: (3,4-dimethoxyphenyl)-[4-[(2-sulfanylidene-1H-pyridin-3-yl)carbonyl]piperazin-1-yl]methanone Openeye Name: (3,4-dimethoxyphenyl)-[4-(2-thioxo-1H-pyridine-3-carbonyl)piperazin-1-yl]methanone CAS Name: (3,4-dimethoxyphenyl)-[4-[oxo-(2-sulfanylidene-1H-pyridin-3-yl)methyl]-1-piperazinyl]methanone IUPAC Name: (3,4-dimethoxyphenyl)-[4-(2-sulfanylidene-1H-pyridine-3-carbonyl)piperazin-1-yl]methanone Traditional Name: (3,4-dimethoxyphenyl)-[4-(2-thioxo-1H-pyridine-3-carbonyl)piperazino]methanone Formula: C19H21N3O4S MolecularWeight: 387.45274

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C(=O)C3=CC=CNC3=S)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C(=O)C3=CC=CNC3=S)OC

InChI

InChI=1S/C19H21N3O4S/c1-25-15-6-5-13(12-16(15)26-2)18(23)21-8-10-22(11-9-21)19(24)14-4-3-7-20-17(14)27/h3-7,12H,8-11H2,1-2H3,(H,20,27)