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

Systemtic Name: 3-bromanyl-N-[(2,5-dimethoxyphenyl)carbamothioyl]-4-propoxy-benzamide Openeye Name: 3-bromo-N-[(2,5-dimethoxyphenyl)carbamothioyl]-4-propoxy-benzamide CAS Name: 3-bromo-N-[(2,5-dimethoxyanilino)-sulfanylidenemethyl]-4-propoxybenzamide IUPAC Name: 3-bromo-N-[(2,5-dimethoxyphenyl)carbamothioyl]-4-propoxybenzamide Traditional Name: 3-bromo-N-[(2,5-dimethoxyphenyl)thiocarbamoyl]-4-propoxy-benzamide Formula: C19H21BrN2O4S MolecularWeight: 453.35004

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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)OC)OC)Br

Isomeric SMILES

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

InChI

InChI=1S/C19H21BrN2O4S/c1-4-9-26-16-7-5-12(10-14(16)20)18(23)22-19(27)21-15-11-13(24-2)6-8-17(15)25-3/h5-8,10-11H,4,9H2,1-3H3,(H2,21,22,23,27)