N-[(2-pyridin-3-yl-1,3-benzoxazol-5-yl)carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

Systemtic Name: N-[(2-pyridin-3-yl-1,3-benzoxazol-5-yl)carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Openeye Name: N-[[2-(3-pyridyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide CAS Name: N-[[[2-(3-pyridinyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide IUPAC Name: N-[(2-pyridin-3-yl-1,3-benzoxazol-5-yl)carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Traditional Name: N-[[2-(3-pyridyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide Formula: C22H16N4O4S MolecularWeight: 432.45184

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C(=O)NC(=S)NC3=CC4=C(C=C3)OC(=N4)C5=CN=CC=C5

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C(=O)NC(=S)NC3=CC4=C(C=C3)OC(=N4)C5=CN=CC=C5

InChI

InChI=1S/C22H16N4O4S/c27-20(13-3-5-18-19(10-13)29-9-8-28-18)26-22(31)24-15-4-6-17-16(11-15)25-21(30-17)14-2-1-7-23-12-14/h1-7,10-12H,8-9H2,(H2,24,26,27,31)