4,6-dimethyl-1-[(4-pyridin-4-ylpiperazin-1-yl)methyl]-2-sulfanylidene-pyridine-3-carboxamide

Systemtic Name: 4,6-dimethyl-1-[(4-pyridin-4-ylpiperazin-1-yl)methyl]-2-sulfanylidene-pyridine-3-carboxamide Openeye Name: 4,6-dimethyl-1-[[4-(4-pyridyl)piperazin-1-yl]methyl]-2-thioxo-pyridine-3-carboxamide CAS Name: 4,6-dimethyl-1-[(4-pyridin-4-yl-1-piperazinyl)methyl]-2-sulfanylidene-3-pyridinecarboxamide IUPAC Name: 4,6-dimethyl-1-[(4-pyridin-4-ylpiperazin-1-yl)methyl]-2-sulfanylidenepyridine-3-carboxamide Traditional Name: 4,6-dimethyl-1-[[4-(4-pyridyl)piperazino]methyl]-2-thioxo-nicotinamide Formula: C18H23N5OS MolecularWeight: 357.47312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=S)N1CN2CCN(CC2)C3=CC=NC=C3)C(=O)N)C

Isomeric SMILES

CC1=CC(=C(C(=S)N1CN2CCN(CC2)C3=CC=NC=C3)C(=O)N)C

InChI

InChI=1S/C18H23N5OS/c1-13-11-14(2)23(18(25)16(13)17(19)24)12-21-7-9-22(10-8-21)15-3-5-20-6-4-15/h3-6,11H,7-10,12H2,1-2H3,(H2,19,24)