N-[(5-tert-butyl-3-chloranyl-2-oxidanyl-phenyl)carbamothioyl]-2-(3,4-dimethylphenoxy)ethanamide

Systemtic Name: N-[(5-tert-butyl-3-chloranyl-2-oxidanyl-phenyl)carbamothioyl]-2-(3,4-dimethylphenoxy)ethanamide Openeye Name: N-[(5-tert-butyl-3-chloro-2-hydroxy-phenyl)carbamothioyl]-2-(3,4-dimethylphenoxy)acetamide CAS Name: N-[(5-tert-butyl-3-chloro-2-hydroxyanilino)-sulfanylidenemethyl]-2-(3,4-dimethylphenoxy)acetamide IUPAC Name: N-[(5-tert-butyl-3-chloro-2-hydroxyphenyl)carbamothioyl]-2-(3,4-dimethylphenoxy)acetamide Traditional Name: N-[(5-tert-butyl-3-chloro-2-hydroxy-phenyl)thiocarbamoyl]-2-(3,4-dimethylphenoxy)acetamide Formula: C21H25ClN2O3S MolecularWeight: 420.9528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OCC(=O)NC(=S)NC2=C(C(=CC(=C2)C(C)(C)C)Cl)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)OCC(=O)NC(=S)NC2=C(C(=CC(=C2)C(C)(C)C)Cl)O)C

InChI

InChI=1S/C21H25ClN2O3S/c1-12-6-7-15(8-13(12)2)27-11-18(25)24-20(28)23-17-10-14(21(3,4)5)9-16(22)19(17)26/h6-10,26H,11H2,1-5H3,(H2,23,24,25,28)