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

Systemtic Name: 3-bromanyl-N-[(5-methyl-2-oxidanyl-phenyl)carbamothioyl]-4-propoxy-benzamide Openeye Name: 3-bromo-N-[(2-hydroxy-5-methyl-phenyl)carbamothioyl]-4-propoxy-benzamide CAS Name: 3-bromo-N-[(2-hydroxy-5-methylanilino)-sulfanylidenemethyl]-4-propoxybenzamide IUPAC Name: 3-bromo-N-[(2-hydroxy-5-methylphenyl)carbamothioyl]-4-propoxybenzamide Traditional Name: 3-bromo-N-[(2-hydroxy-5-methyl-phenyl)thiocarbamoyl]-4-propoxy-benzamide Formula: C18H19BrN2O3S MolecularWeight: 423.32406

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C)O)Br

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C)O)Br

InChI

InChI=1S/C18H19BrN2O3S/c1-3-8-24-16-7-5-12(10-13(16)19)17(23)21-18(25)20-14-9-11(2)4-6-15(14)22/h4-7,9-10,22H,3,8H2,1-2H3,(H2,20,21,23,25)