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

Systemtic Name: N-[(6-pentoxypyridin-3-yl)carbamothioyl]-2-pyrrolidin-1-yl-pyridine-3-carboxamide Openeye Name: N-[(6-pentoxy-3-pyridyl)carbamothioyl]-2-pyrrolidin-1-yl-pyridine-3-carboxamide CAS Name: N-[[(6-pentoxy-3-pyridinyl)amino]-sulfanylidenemethyl]-2-(1-pyrrolidinyl)-3-pyridinecarboxamide IUPAC Name: N-[(6-pentoxypyridin-3-yl)carbamothioyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide Traditional Name: N-[(6-amoxy-3-pyridyl)thiocarbamoyl]-2-pyrrolidino-nicotinamide Formula: C21H27N5O2S MolecularWeight: 413.53638

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=NC=C(C=C1)NC(=S)NC(=O)C2=C(N=CC=C2)N3CCCC3

Isomeric SMILES

CCCCCOC1=NC=C(C=C1)NC(=S)NC(=O)C2=C(N=CC=C2)N3CCCC3

InChI

InChI=1S/C21H27N5O2S/c1-2-3-6-14-28-18-10-9-16(15-23-18)24-21(29)25-20(27)17-8-7-11-22-19(17)26-12-4-5-13-26/h7-11,15H,2-6,12-14H2,1H3,(H2,24,25,27,29)