4-(2-phenoxyethoxy)-N-(pyridin-3-ylmethylcarbamothioyl)benzamide

Systemtic Name: 4-(2-phenoxyethoxy)-N-(pyridin-3-ylmethylcarbamothioyl)benzamide Openeye Name: 4-(2-phenoxyethoxy)-N-(3-pyridylmethylcarbamothioyl)benzamide CAS Name: 4-(2-phenoxyethoxy)-N-[(3-pyridinylmethylamino)-sulfanylidenemethyl]benzamide IUPAC Name: 4-(2-phenoxyethoxy)-N-(pyridin-3-ylmethylcarbamothioyl)benzamide Traditional Name: 4-(2-phenoxyethoxy)-N-(3-pyridylmethylthiocarbamoyl)benzamide Formula: C22H21N3O3S MolecularWeight: 407.48544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCCOC2=CC=C(C=C2)C(=O)NC(=S)NCC3=CN=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)OCCOC2=CC=C(C=C2)C(=O)NC(=S)NCC3=CN=CC=C3

InChI

InChI=1S/C22H21N3O3S/c26-21(25-22(29)24-16-17-5-4-12-23-15-17)18-8-10-20(11-9-18)28-14-13-27-19-6-2-1-3-7-19/h1-12,15H,13-14,16H2,(H2,24,25,26,29)