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

Systemtic Name: N-[[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]-3-ethoxy-benzamide Openeye Name: N-[[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]-3-ethoxy-benzamide CAS Name: N-[[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylanilino]-sulfanylidenemethyl]-3-ethoxybenzamide IUPAC Name: N-[[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-3-ethoxybenzamide Traditional Name: N-[[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]thiocarbamoyl]-3-ethoxy-benzamide Formula: C26H25N3O3S MolecularWeight: 459.56

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=CC(=C2C)C3=NC4=CC(=CC(=C4O3)C)C

Isomeric SMILES

CCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=CC(=C2C)C3=NC4=CC(=CC(=C4O3)C)C

InChI

InChI=1S/C26H25N3O3S/c1-5-31-19-9-6-8-18(14-19)24(30)29-26(33)28-21-11-7-10-20(17(21)4)25-27-22-13-15(2)12-16(3)23(22)32-25/h6-14H,5H2,1-4H3,(H2,28,29,30,33)