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

Systemtic Name: 5-bromanyl-N-[(3,5-dimethyl-2-oxidanyl-phenyl)carbamothioyl]-2-methoxy-3-methyl-benzamide Openeye Name: 5-bromo-N-[(2-hydroxy-3,5-dimethyl-phenyl)carbamothioyl]-2-methoxy-3-methyl-benzamide CAS Name: 5-bromo-N-[(2-hydroxy-3,5-dimethylanilino)-sulfanylidenemethyl]-2-methoxy-3-methylbenzamide IUPAC Name: 5-bromo-N-[(2-hydroxy-3,5-dimethylphenyl)carbamothioyl]-2-methoxy-3-methylbenzamide Traditional Name: 5-bromo-N-[(2-hydroxy-3,5-dimethyl-phenyl)thiocarbamoyl]-2-methoxy-3-methyl-benzamide Formula: C18H19BrN2O3S MolecularWeight: 423.32406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)NC(=S)NC(=O)C2=CC(=CC(=C2OC)C)Br)O)C

Isomeric SMILES

CC1=CC(=C(C(=C1)NC(=S)NC(=O)C2=CC(=CC(=C2OC)C)Br)O)C

InChI

InChI=1S/C18H19BrN2O3S/c1-9-5-10(2)15(22)14(6-9)20-18(25)21-17(23)13-8-12(19)7-11(3)16(13)24-4/h5-8,22H,1-4H3,(H2,20,21,23,25)