3-phenethyloxy-N-[(pyridin-4-ylcarbonylamino)carbamothioyl]benzamide

Systemtic Name: 3-phenethyloxy-N-[(pyridin-4-ylcarbonylamino)carbamothioyl]benzamide Openeye Name: 3-phenethyloxy-N-[(pyridine-4-carbonylamino)carbamothioyl]benzamide CAS Name: N-[[[oxo(pyridin-4-yl)methyl]hydrazo]-sulfanylidenemethyl]-3-phenethyloxybenzamide IUPAC Name: 3-phenethyloxy-N-[(pyridine-4-carbonylamino)carbamothioyl]benzamide Traditional Name: N-(isonicotinamidothiocarbamoyl)-3-phenethyloxy-benzamide Formula: C22H20N4O3S MolecularWeight: 420.4842

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20N4O3S/c27-20(24-22(30)26-25-21(28)17-9-12-23-13-10-17)18-7-4-8-19(15-18)29-14-11-16-5-2-1-3-6-16/h1-10,12-13,15H,11,14H2,(H,25,28)(H2,24,26,27,30)