N-[[2-(3-chloranyl-4-methoxy-phenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-methyl-1-benzofuran-2-carboxamide

Systemtic Name: N-[[2-(3-chloranyl-4-methoxy-phenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-methyl-1-benzofuran-2-carboxamide Openeye Name: N-[[2-(3-chloro-4-methoxy-phenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-methyl-benzofuran-2-carboxamide CAS Name: N-[[[2-(3-chloro-4-methoxyphenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-3-methyl-2-benzofurancarboxamide IUPAC Name: N-[[2-(3-chloro-4-methoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-methyl-1-benzofuran-2-carboxamide Traditional Name: N-[[2-(3-chloro-4-methoxy-phenyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]-3-methyl-coumarilamide Formula: C25H18ClN3O4S MolecularWeight: 491.94612

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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=CC(=C(C=C5)OC)Cl

Isomeric SMILES

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

InChI

InChI=1S/C25H18ClN3O4S/c1-13-16-5-3-4-6-19(16)32-22(13)23(30)29-25(34)27-15-8-10-21-18(12-15)28-24(33-21)14-7-9-20(31-2)17(26)11-14/h3-12H,1-2H3,(H2,27,29,30,34)