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

Systemtic Name: 3-bromanyl-N-[(3,4-dimethylphenyl)carbamothioyl]-4-propoxy-benzamide Openeye Name: 3-bromo-N-[(3,4-dimethylphenyl)carbamothioyl]-4-propoxy-benzamide CAS Name: 3-bromo-N-[(3,4-dimethylanilino)-sulfanylidenemethyl]-4-propoxybenzamide IUPAC Name: 3-bromo-N-[(3,4-dimethylphenyl)carbamothioyl]-4-propoxybenzamide Traditional Name: 3-bromo-N-[(3,4-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=CC(=C(C=C2)C)C)Br

Isomeric SMILES

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

InChI

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