4-phenethyloxy-N-(pyridin-3-ylmethylcarbamothioyl)benzamide

Systemtic Name: 4-phenethyloxy-N-(pyridin-3-ylmethylcarbamothioyl)benzamide Openeye Name: 4-phenethyloxy-N-(3-pyridylmethylcarbamothioyl)benzamide CAS Name: 4-phenethyloxy-N-[(3-pyridinylmethylamino)-sulfanylidenemethyl]benzamide IUPAC Name: 4-phenethyloxy-N-(pyridin-3-ylmethylcarbamothioyl)benzamide Traditional Name: 4-phenethyloxy-N-(3-pyridylmethylthiocarbamoyl)benzamide Formula: C22H21N3O2S MolecularWeight: 391.48604

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCOC2=CC=C(C=C2)C(=O)NC(=S)NCC3=CN=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CCOC2=CC=C(C=C2)C(=O)NC(=S)NCC3=CN=CC=C3

InChI

InChI=1S/C22H21N3O2S/c26-21(25-22(28)24-16-18-7-4-13-23-15-18)19-8-10-20(11-9-19)27-14-12-17-5-2-1-3-6-17/h1-11,13,15H,12,14,16H2,(H2,24,25,26,28)