3-chloranyl-N-[[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]-4-ethoxy-benzamide

Systemtic Name: 3-chloranyl-N-[[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]-4-ethoxy-benzamide Openeye Name: 3-chloro-N-[[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]-4-ethoxy-benzamide CAS Name: 3-chloro-N-[[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylanilino]-sulfanylidenemethyl]-4-ethoxybenzamide IUPAC Name: 3-chloro-N-[[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-4-ethoxybenzamide Traditional Name: 3-chloro-N-[[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]thiocarbamoyl]-4-ethoxy-benzamide Formula: C26H24ClN3O3S MolecularWeight: 494.00506

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C3=NC4=CC(=CC(=C4O3)C)C)C)Cl

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C3=NC4=CC(=CC(=C4O3)C)C)C)Cl

InChI

InChI=1S/C26H24ClN3O3S/c1-5-32-22-9-8-17(12-19(22)27)24(31)30-26(34)29-20-13-18(7-6-15(20)3)25-28-21-11-14(2)10-16(4)23(21)33-25/h6-13H,5H2,1-4H3,(H2,29,30,31,34)