3-methyl-N-[[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-1-benzofuran-2-carboxamide

Systemtic Name: 3-methyl-N-[[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-1-benzofuran-2-carboxamide Openeye Name: 3-methyl-N-[[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]benzofuran-2-carboxamide CAS Name: 3-methyl-N-[[4-(6-methyl-1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]-2-benzofurancarboxamide IUPAC Name: 3-methyl-N-[[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-1-benzofuran-2-carboxamide Traditional Name: 3-methyl-N-[[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]coumarilamide Formula: C25H19N3O3S MolecularWeight: 441.50166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(O2)C3=CC=C(C=C3)NC(=S)NC(=O)C4=C(C5=CC=CC=C5O4)C

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(O2)C3=CC=C(C=C3)NC(=S)NC(=O)C4=C(C5=CC=CC=C5O4)C

InChI

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