3-methyl-N-[(2-pyridin-3-yl-1,3-benzoxazol-5-yl)carbamothioyl]-1-benzofuran-2-carboxamide

Systemtic Name: 3-methyl-N-[(2-pyridin-3-yl-1,3-benzoxazol-5-yl)carbamothioyl]-1-benzofuran-2-carboxamide Openeye Name: 3-methyl-N-[[2-(3-pyridyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzofuran-2-carboxamide CAS Name: 3-methyl-N-[[[2-(3-pyridinyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-2-benzofurancarboxamide IUPAC Name: 3-methyl-N-[(2-pyridin-3-yl-1,3-benzoxazol-5-yl)carbamothioyl]-1-benzofuran-2-carboxamide Traditional Name: 3-methyl-N-[[2-(3-pyridyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]coumarilamide Formula: C23H16N4O3S MolecularWeight: 428.46314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=CC=CC=C12)C(=O)NC(=S)NC3=CC4=C(C=C3)OC(=N4)C5=CN=CC=C5

Isomeric SMILES

CC1=C(OC2=CC=CC=C12)C(=O)NC(=S)NC3=CC4=C(C=C3)OC(=N4)C5=CN=CC=C5

InChI

InChI=1S/C23H16N4O3S/c1-13-16-6-2-3-7-18(16)29-20(13)21(28)27-23(31)25-15-8-9-19-17(11-15)26-22(30-19)14-5-4-10-24-12-14/h2-12H,1H3,(H2,25,27,28,31)