7-chloranyl-N-[[2-(2,3-dimethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-1-benzofuran-2-carboxamide

Systemtic Name: 7-chloranyl-N-[[2-(2,3-dimethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-1-benzofuran-2-carboxamide Openeye Name: 7-chloro-N-[[2-(2,3-dimethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzofuran-2-carboxamide CAS Name: 7-chloro-N-[[[2-(2,3-dimethylphenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-2-benzofurancarboxamide IUPAC Name: 7-chloro-N-[[2-(2,3-dimethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-1-benzofuran-2-carboxamide Traditional Name: 7-chloro-N-[[2-(2,3-dimethylphenyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]coumarilamide Formula: C25H18ClN3O3S MolecularWeight: 475.94672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1C)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4=CC5=C(O4)C(=CC=C5)Cl

Isomeric SMILES

CC1=CC=CC(=C1C)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4=CC5=C(O4)C(=CC=C5)Cl

InChI

InChI=1S/C25H18ClN3O3S/c1-13-5-3-7-17(14(13)2)24-28-19-12-16(9-10-20(19)32-24)27-25(33)29-23(30)21-11-15-6-4-8-18(26)22(15)31-21/h3-12H,1-2H3,(H2,27,29,30,33)