N-(3,5-dimethylphenyl)-2-[[2-(methylcarbamothioylamino)pyridin-4-yl]methylsulfanyl]pyridine-3-carboxamide

Systemtic Name: N-(3,5-dimethylphenyl)-2-[[2-(methylcarbamothioylamino)pyridin-4-yl]methylsulfanyl]pyridine-3-carboxamide Openeye Name: N-(3,5-dimethylphenyl)-2-[[2-(methylcarbamothioylamino)-4-pyridyl]methylsulfanyl]pyridine-3-carboxamide CAS Name: N-(3,5-dimethylphenyl)-2-[[2-[[methylamino(sulfanylidene)methyl]amino]-4-pyridinyl]methylthio]-3-pyridinecarboxamide IUPAC Name: N-(3,5-dimethylphenyl)-2-[[2-(methylcarbamothioylamino)pyridin-4-yl]methylsulfanyl]pyridine-3-carboxamide Traditional Name: N-(3,5-dimethylphenyl)-2-[[2-(methylthiocarbamoylamino)-4-pyridyl]methylthio]nicotinamide Formula: C22H23N5OS2 MolecularWeight: 437.58092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)C2=C(N=CC=C2)SCC3=CC(=NC=C3)NC(=S)NC)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)C2=C(N=CC=C2)SCC3=CC(=NC=C3)NC(=S)NC)C

InChI

InChI=1S/C22H23N5OS2/c1-14-9-15(2)11-17(10-14)26-20(28)18-5-4-7-25-21(18)30-13-16-6-8-24-19(12-16)27-22(29)23-3/h4-12H,13H2,1-3H3,(H,26,28)(H2,23,24,27,29)