N-[(5-butan-2-yl-2-oxidanyl-phenyl)carbamothioyl]-2-(3,4-dimethylphenoxy)ethanamide

Systemtic Name: N-[(5-butan-2-yl-2-oxidanyl-phenyl)carbamothioyl]-2-(3,4-dimethylphenoxy)ethanamide Openeye Name: 2-(3,4-dimethylphenoxy)-N-[(2-hydroxy-5-sec-butyl-phenyl)carbamothioyl]acetamide CAS Name: N-[(5-butan-2-yl-2-hydroxyanilino)-sulfanylidenemethyl]-2-(3,4-dimethylphenoxy)acetamide IUPAC Name: N-[(5-butan-2-yl-2-hydroxyphenyl)carbamothioyl]-2-(3,4-dimethylphenoxy)acetamide Traditional Name: 2-(3,4-dimethylphenoxy)-N-[(2-hydroxy-5-sec-butyl-phenyl)thiocarbamoyl]acetamide Formula: C21H26N2O3S MolecularWeight: 386.50774

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC(=C(C=C1)O)NC(=S)NC(=O)COC2=CC(=C(C=C2)C)C

Isomeric SMILES

CCC(C)C1=CC(=C(C=C1)O)NC(=S)NC(=O)COC2=CC(=C(C=C2)C)C

InChI

InChI=1S/C21H26N2O3S/c1-5-13(2)16-7-9-19(24)18(11-16)22-21(27)23-20(25)12-26-17-8-6-14(3)15(4)10-17/h6-11,13,24H,5,12H2,1-4H3,(H2,22,23,25,27)