3-bromanyl-4-butoxy-N-[(5-methyl-2-oxidanyl-phenyl)carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-butoxy-N-[(5-methyl-2-oxidanyl-phenyl)carbamothioyl]benzamide Openeye Name: 3-bromo-4-butoxy-N-[(2-hydroxy-5-methyl-phenyl)carbamothioyl]benzamide CAS Name: 3-bromo-4-butoxy-N-[(2-hydroxy-5-methylanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-butoxy-N-[(2-hydroxy-5-methylphenyl)carbamothioyl]benzamide Traditional Name: 3-bromo-4-butoxy-N-[(2-hydroxy-5-methyl-phenyl)thiocarbamoyl]benzamide Formula: C19H21BrN2O3S MolecularWeight: 437.35064

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C)O)Br

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C)O)Br

InChI

InChI=1S/C19H21BrN2O3S/c1-3-4-9-25-17-8-6-13(11-14(17)20)18(24)22-19(26)21-15-10-12(2)5-7-16(15)23/h5-8,10-11,23H,3-4,9H2,1-2H3,(H2,21,22,24,26)