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

Systemtic Name: 2-bromanyl-N-[(3,4-dimethoxyphenyl)carbamothioyl]benzamide Openeye Name: 2-bromo-N-[(3,4-dimethoxyphenyl)carbamothioyl]benzamide CAS Name: 2-bromo-N-[(3,4-dimethoxyanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 2-bromo-N-[(3,4-dimethoxyphenyl)carbamothioyl]benzamide Traditional Name: 2-bromo-N-[(3,4-dimethoxyphenyl)thiocarbamoyl]benzamide Formula: C16H15BrN2O3S MolecularWeight: 395.2709

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=S)NC(=O)C2=CC=CC=C2Br)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=S)NC(=O)C2=CC=CC=C2Br)OC

InChI

InChI=1S/C16H15BrN2O3S/c1-21-13-8-7-10(9-14(13)22-2)18-16(23)19-15(20)11-5-3-4-6-12(11)17/h3-9H,1-2H3,(H2,18,19,20,23)