3-bromanyl-N-[(2,5-dimethylphenyl)carbamothioyl]-4-propoxy-benzamide

Systemtic Name: 3-bromanyl-N-[(2,5-dimethylphenyl)carbamothioyl]-4-propoxy-benzamide Openeye Name: 3-bromo-N-[(2,5-dimethylphenyl)carbamothioyl]-4-propoxy-benzamide CAS Name: 3-bromo-N-[(2,5-dimethylanilino)-sulfanylidenemethyl]-4-propoxybenzamide IUPAC Name: 3-bromo-N-[(2,5-dimethylphenyl)carbamothioyl]-4-propoxybenzamide Traditional Name: 3-bromo-N-[(2,5-dimethylphenyl)thiocarbamoyl]-4-propoxy-benzamide Formula: C19H21BrN2O2S MolecularWeight: 421.35124

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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)C)Br

Isomeric SMILES

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

InChI

InChI=1S/C19H21BrN2O2S/c1-4-9-24-17-8-7-14(11-15(17)20)18(23)22-19(25)21-16-10-12(2)5-6-13(16)3/h5-8,10-11H,4,9H2,1-3H3,(H2,21,22,23,25)