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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21BrN2O4S/c1-4-9-26-16-7-5-12(20)10-14(16)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)