N-[4-[4-azanyl-2-(ethoxymethyl)-7-methyl-imidazo[4,5-c]pyridin-1-yl]butylcarbamothioyl]benzamide

Systemtic Name: N-[4-[4-azanyl-2-(ethoxymethyl)-7-methyl-imidazo[4,5-c]pyridin-1-yl]butylcarbamothioyl]benzamide Openeye Name: N-[4-[4-amino-2-(ethoxymethyl)-7-methyl-imidazo[4,5-c]pyridin-1-yl]butylcarbamothioyl]benzamide CAS Name: N-[[4-[4-amino-2-(ethoxymethyl)-7-methyl-1-imidazo[4,5-c]pyridinyl]butylamino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[4-[4-amino-2-(ethoxymethyl)-7-methylimidazo[4,5-c]pyridin-1-yl]butylcarbamothioyl]benzamide Traditional Name: N-[4-[4-amino-2-(ethoxymethyl)-7-methyl-imidazo[4,5-c]pyridin-1-yl]butylthiocarbamoyl]benzamide Formula: C22H28N6O2S MolecularWeight: 440.56172

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Descriptors Computed from Structure

Canonical SMILES:

CCOCC1=NC2=C(N1CCCCNC(=S)NC(=O)C3=CC=CC=C3)C(=CN=C2N)C

Isomeric SMILES

CCOCC1=NC2=C(N1CCCCNC(=S)NC(=O)C3=CC=CC=C3)C(=CN=C2N)C

InChI

InChI=1S/C22H28N6O2S/c1-3-30-14-17-26-18-19(15(2)13-25-20(18)23)28(17)12-8-7-11-24-22(31)27-21(29)16-9-5-4-6-10-16/h4-6,9-10,13H,3,7-8,11-12,14H2,1-2H3,(H2,23,25)(H2,24,27,29,31)