4-phenylmethoxy-N-[(2-pyridin-4-yl-1,3-benzoxazol-5-yl)carbamothioyl]benzamide

Systemtic Name: 4-phenylmethoxy-N-[(2-pyridin-4-yl-1,3-benzoxazol-5-yl)carbamothioyl]benzamide Openeye Name: 4-benzyloxy-N-[[2-(4-pyridyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide CAS Name: 4-phenylmethoxy-N-[[(2-pyridin-4-yl-1,3-benzoxazol-5-yl)amino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-phenylmethoxy-N-[(2-pyridin-4-yl-1,3-benzoxazol-5-yl)carbamothioyl]benzamide Traditional Name: 4-benzoxy-N-[[2-(4-pyridyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]benzamide Formula: C27H20N4O3S MolecularWeight: 480.5377

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)C(=O)NC(=S)NC3=CC4=C(C=C3)OC(=N4)C5=CC=NC=C5

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)C(=O)NC(=S)NC3=CC4=C(C=C3)OC(=N4)C5=CC=NC=C5

InChI

InChI=1S/C27H20N4O3S/c32-25(19-6-9-22(10-7-19)33-17-18-4-2-1-3-5-18)31-27(35)29-21-8-11-24-23(16-21)30-26(34-24)20-12-14-28-15-13-20/h1-16H,17H2,(H2,29,31,32,35)