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

Systemtic Name: N-[[3-(1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]-3-methyl-1-benzofuran-2-carboxamide Openeye Name: N-[[3-(1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]-3-methyl-benzofuran-2-carboxamide CAS Name: N-[[3-(1,3-benzoxazol-2-yl)-2-methylanilino]-sulfanylidenemethyl]-3-methyl-2-benzofurancarboxamide IUPAC Name: N-[[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-3-methyl-1-benzofuran-2-carboxamide Traditional Name: N-[[3-(1,3-benzoxazol-2-yl)-2-methyl-phenyl]thiocarbamoyl]-3-methyl-coumarilamide Formula: C25H19N3O3S MolecularWeight: 441.50166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=S)NC(=O)C2=C(C3=CC=CC=C3O2)C)C4=NC5=CC=CC=C5O4

Isomeric SMILES

CC1=C(C=CC=C1NC(=S)NC(=O)C2=C(C3=CC=CC=C3O2)C)C4=NC5=CC=CC=C5O4

InChI

InChI=1S/C25H19N3O3S/c1-14-17(24-26-19-10-4-6-13-21(19)31-24)9-7-11-18(14)27-25(32)28-23(29)22-15(2)16-8-3-5-12-20(16)30-22/h3-13H,1-2H3,(H2,27,28,29,32)