N-[[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]-3-methyl-1-benzofuran-2-carboxamide

Systemtic Name: N-[[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]-3-methyl-1-benzofuran-2-carboxamide Openeye Name: N-[[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]-3-methyl-benzofuran-2-carboxamide CAS Name: N-[[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylanilino]-sulfanylidenemethyl]-3-methyl-2-benzofurancarboxamide IUPAC Name: N-[[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-3-methyl-1-benzofuran-2-carboxamide Traditional Name: N-[[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]thiocarbamoyl]-3-methyl-coumarilamide Formula: C27H23N3O3S MolecularWeight: 469.55482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)N=C(O2)C3=C(C(=CC=C3)NC(=S)NC(=O)C4=C(C5=CC=CC=C5O4)C)C)C

Isomeric SMILES

CC1=CC(=C2C(=C1)N=C(O2)C3=C(C(=CC=C3)NC(=S)NC(=O)C4=C(C5=CC=CC=C5O4)C)C)C

InChI

InChI=1S/C27H23N3O3S/c1-14-12-15(2)23-21(13-14)28-26(33-23)19-9-7-10-20(16(19)3)29-27(34)30-25(31)24-17(4)18-8-5-6-11-22(18)32-24/h5-13H,1-4H3,(H2,29,30,31,34)