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

Systemtic Name: 3-phenylmethoxy-N-[(pyridin-4-ylcarbonylamino)carbamothioyl]benzamide Openeye Name: 3-benzyloxy-N-[(pyridine-4-carbonylamino)carbamothioyl]benzamide CAS Name: N-[[[oxo(pyridin-4-yl)methyl]hydrazo]-sulfanylidenemethyl]-3-phenylmethoxybenzamide IUPAC Name: 3-phenylmethoxy-N-[(pyridine-4-carbonylamino)carbamothioyl]benzamide Traditional Name: 3-benzoxy-N-(isonicotinamidothiocarbamoyl)benzamide Formula: C21H18N4O3S MolecularWeight: 406.45762

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=CC(=C2)C(=O)NC(=S)NNC(=O)C3=CC=NC=C3

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=CC(=C2)C(=O)NC(=S)NNC(=O)C3=CC=NC=C3

InChI

InChI=1S/C21H18N4O3S/c26-19(23-21(29)25-24-20(27)16-9-11-22-12-10-16)17-7-4-8-18(13-17)28-14-15-5-2-1-3-6-15/h1-13H,14H2,(H,24,27)(H2,23,25,26,29)