2-(4-methylphenoxy)-N-[[4-(pyridin-4-ylmethyl)phenyl]carbamothioyl]ethanamide

Systemtic Name: 2-(4-methylphenoxy)-N-[[4-(pyridin-4-ylmethyl)phenyl]carbamothioyl]ethanamide Openeye Name: 2-(4-methylphenoxy)-N-[[4-(4-pyridylmethyl)phenyl]carbamothioyl]acetamide CAS Name: 2-(4-methylphenoxy)-N-[[4-(pyridin-4-ylmethyl)anilino]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(4-methylphenoxy)-N-[[4-(pyridin-4-ylmethyl)phenyl]carbamothioyl]acetamide Traditional Name: 2-(4-methylphenoxy)-N-[[4-(4-pyridylmethyl)phenyl]thiocarbamoyl]acetamide Formula: C22H21N3O2S MolecularWeight: 391.48604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCC(=O)NC(=S)NC2=CC=C(C=C2)CC3=CC=NC=C3

Isomeric SMILES

CC1=CC=C(C=C1)OCC(=O)NC(=S)NC2=CC=C(C=C2)CC3=CC=NC=C3

InChI

InChI=1S/C22H21N3O2S/c1-16-2-8-20(9-3-16)27-15-21(26)25-22(28)24-19-6-4-17(5-7-19)14-18-10-12-23-13-11-18/h2-13H,14-15H2,1H3,(H2,24,25,26,28)