3,4,5-triethoxy-N-[(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)carbamothioyl]benzamide

Systemtic Name: 3,4,5-triethoxy-N-[(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)carbamothioyl]benzamide Openeye Name: 3,4,5-triethoxy-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)carbamothioyl]benzamide CAS Name: 3,4,5-triethoxy-N-[[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]-sulfanylidenemethyl]benzamide IUPAC Name: 3,4,5-triethoxy-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)carbamothioyl]benzamide Traditional Name: 3,4,5-triethoxy-N-[(2-keto-1,3-dihydrobenzimidazol-5-yl)thiocarbamoyl]benzamide Formula: C21H24N4O5S MolecularWeight: 444.50406

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC(=S)NC2=CC3=C(C=C2)NC(=O)N3

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC(=S)NC2=CC3=C(C=C2)NC(=O)N3

InChI

InChI=1S/C21H24N4O5S/c1-4-28-16-9-12(10-17(29-5-2)18(16)30-6-3)19(26)25-21(31)22-13-7-8-14-15(11-13)24-20(27)23-14/h7-11H,4-6H2,1-3H3,(H2,23,24,27)(H2,22,25,26,31)