3,4,5-triethoxy-N-[(phenylmethyl)-pyridin-2-yl-carbamothioyl]benzamide

Systemtic Name: 3,4,5-triethoxy-N-[(phenylmethyl)-pyridin-2-yl-carbamothioyl]benzamide Openeye Name: N-[benzyl(2-pyridyl)carbamothioyl]-3,4,5-triethoxy-benzamide CAS Name: 3,4,5-triethoxy-N-[[(phenylmethyl)-(2-pyridinyl)amino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[benzyl(pyridin-2-yl)carbamothioyl]-3,4,5-triethoxybenzamide Traditional Name: N-[benzyl(2-pyridyl)thiocarbamoyl]-3,4,5-triethoxy-benzamide Formula: C26H29N3O4S MolecularWeight: 479.59116

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC(=S)N(CC2=CC=CC=C2)C3=CC=CC=N3

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC(=S)N(CC2=CC=CC=C2)C3=CC=CC=N3

InChI

InChI=1S/C26H29N3O4S/c1-4-31-21-16-20(17-22(32-5-2)24(21)33-6-3)25(30)28-26(34)29(23-14-10-11-15-27-23)18-19-12-8-7-9-13-19/h7-17H,4-6,18H2,1-3H3,(H,28,30,34)