5-bromanyl-N-[[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]-2-methoxy-3-methyl-benzamide

Systemtic Name: 5-bromanyl-N-[[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]-2-methoxy-3-methyl-benzamide Openeye Name: 5-bromo-N-[[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]-2-methoxy-3-methyl-benzamide CAS Name: 5-bromo-N-[[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylanilino]-sulfanylidenemethyl]-2-methoxy-3-methylbenzamide IUPAC Name: 5-bromo-N-[[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-2-methoxy-3-methylbenzamide Traditional Name: 5-bromo-N-[[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]thiocarbamoyl]-2-methoxy-3-methyl-benzamide Formula: C26H24BrN3O3S MolecularWeight: 538.45606

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)OC(=N2)C3=C(C(=CC=C3)NC(=S)NC(=O)C4=CC(=CC(=C4OC)C)Br)C

Isomeric SMILES

CC1=CC2=C(C=C1C)OC(=N2)C3=C(C(=CC=C3)NC(=S)NC(=O)C4=CC(=CC(=C4OC)C)Br)C

InChI

InChI=1S/C26H24BrN3O3S/c1-13-10-21-22(11-14(13)2)33-25(28-21)18-7-6-8-20(16(18)4)29-26(34)30-24(31)19-12-17(27)9-15(3)23(19)32-5/h6-12H,1-5H3,(H2,29,30,31,34)