3-chloranyl-N-[[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methoxy-phenyl]carbamothioyl]-4-ethoxy-benzamide

Systemtic Name: 3-chloranyl-N-[[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methoxy-phenyl]carbamothioyl]-4-ethoxy-benzamide Openeye Name: 3-chloro-N-[[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methoxy-phenyl]carbamothioyl]-4-ethoxy-benzamide CAS Name: 3-chloro-N-[[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methoxyanilino]-sulfanylidenemethyl]-4-ethoxybenzamide IUPAC Name: 3-chloro-N-[[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methoxyphenyl]carbamothioyl]-4-ethoxybenzamide Traditional Name: 3-chloro-N-[[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methoxy-phenyl]thiocarbamoyl]-4-ethoxy-benzamide Formula: C26H24ClN3O4S MolecularWeight: 510.00446

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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=C(O3)C=C(C(=C4)C)C)OC)Cl

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C3=NC4=C(O3)C=C(C(=C4)C)C)OC)Cl

InChI

InChI=1S/C26H24ClN3O4S/c1-5-33-21-8-6-16(12-18(21)27)24(31)30-26(35)29-20-13-17(7-9-22(20)32-4)25-28-19-10-14(2)15(3)11-23(19)34-25/h6-13H,5H2,1-4H3,(H2,29,30,31,35)