2-(4-methylpiperazin-1-yl)-N-[(6-pentoxypyridin-3-yl)carbamothioyl]pyridine-3-carboxamide

Systemtic Name: 2-(4-methylpiperazin-1-yl)-N-[(6-pentoxypyridin-3-yl)carbamothioyl]pyridine-3-carboxamide Openeye Name: 2-(4-methylpiperazin-1-yl)-N-[(6-pentoxy-3-pyridyl)carbamothioyl]pyridine-3-carboxamide CAS Name: 2-(4-methyl-1-piperazinyl)-N-[[(6-pentoxy-3-pyridinyl)amino]-sulfanylidenemethyl]-3-pyridinecarboxamide IUPAC Name: 2-(4-methylpiperazin-1-yl)-N-[(6-pentoxypyridin-3-yl)carbamothioyl]pyridine-3-carboxamide Traditional Name: N-[(6-amoxy-3-pyridyl)thiocarbamoyl]-2-(4-methylpiperazino)nicotinamide Formula: C22H30N6O2S MolecularWeight: 442.5776

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=NC=C(C=C1)NC(=S)NC(=O)C2=C(N=CC=C2)N3CCN(CC3)C

Isomeric SMILES

CCCCCOC1=NC=C(C=C1)NC(=S)NC(=O)C2=C(N=CC=C2)N3CCN(CC3)C

InChI

InChI=1S/C22H30N6O2S/c1-3-4-5-15-30-19-9-8-17(16-24-19)25-22(31)26-21(29)18-7-6-10-23-20(18)28-13-11-27(2)12-14-28/h6-10,16H,3-5,11-15H2,1-2H3,(H2,25,26,29,31)