N-[(6-pentoxypyridin-3-yl)carbamothioyl]-2-pyridin-3-yl-1,3-thiazole-4-carboxamide

Systemtic Name: N-[(6-pentoxypyridin-3-yl)carbamothioyl]-2-pyridin-3-yl-1,3-thiazole-4-carboxamide Openeye Name: N-[(6-pentoxy-3-pyridyl)carbamothioyl]-2-(3-pyridyl)thiazole-4-carboxamide CAS Name: N-[[(6-pentoxy-3-pyridinyl)amino]-sulfanylidenemethyl]-2-(3-pyridinyl)-4-thiazolecarboxamide IUPAC Name: N-[(6-pentoxypyridin-3-yl)carbamothioyl]-2-pyridin-3-yl-1,3-thiazole-4-carboxamide Traditional Name: N-[(6-amoxy-3-pyridyl)thiocarbamoyl]-2-(3-pyridyl)thiazole-4-carboxamide Formula: C20H21N5O2S2 MolecularWeight: 427.54304

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=NC=C(C=C1)NC(=S)NC(=O)C2=CSC(=N2)C3=CN=CC=C3

Isomeric SMILES

CCCCCOC1=NC=C(C=C1)NC(=S)NC(=O)C2=CSC(=N2)C3=CN=CC=C3

InChI

InChI=1S/C20H21N5O2S2/c1-2-3-4-10-27-17-8-7-15(12-22-17)23-20(28)25-18(26)16-13-29-19(24-16)14-6-5-9-21-11-14/h5-9,11-13H,2-4,10H2,1H3,(H2,23,25,26,28)