5-bromanyl-N-[(5-tert-butyl-2-oxidanyl-phenyl)carbamothioyl]-2-methoxy-3-methyl-benzamide

Systemtic Name: 5-bromanyl-N-[(5-tert-butyl-2-oxidanyl-phenyl)carbamothioyl]-2-methoxy-3-methyl-benzamide Openeye Name: 5-bromo-N-[(5-tert-butyl-2-hydroxy-phenyl)carbamothioyl]-2-methoxy-3-methyl-benzamide CAS Name: 5-bromo-N-[(5-tert-butyl-2-hydroxyanilino)-sulfanylidenemethyl]-2-methoxy-3-methylbenzamide IUPAC Name: 5-bromo-N-[(5-tert-butyl-2-hydroxyphenyl)carbamothioyl]-2-methoxy-3-methylbenzamide Traditional Name: 5-bromo-N-[(5-tert-butyl-2-hydroxy-phenyl)thiocarbamoyl]-2-methoxy-3-methyl-benzamide Formula: C20H23BrN2O3S MolecularWeight: 451.37722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)Br)C(=O)NC(=S)NC2=C(C=CC(=C2)C(C)(C)C)O)OC

Isomeric SMILES

CC1=C(C(=CC(=C1)Br)C(=O)NC(=S)NC2=C(C=CC(=C2)C(C)(C)C)O)OC

InChI

InChI=1S/C20H23BrN2O3S/c1-11-8-13(21)10-14(17(11)26-5)18(25)23-19(27)22-15-9-12(20(2,3)4)6-7-16(15)24/h6-10,24H,1-5H3,(H2,22,23,25,27)