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

Systemtic Name: 2-bromanyl-N-[[(3,4-dimethoxyphenyl)carbonylamino]carbamothioyl]benzamide Openeye Name: 2-bromo-N-[[(3,4-dimethoxybenzoyl)amino]carbamothioyl]benzamide CAS Name: 2-bromo-N-[[[(3,4-dimethoxyphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 2-bromo-N-[[(3,4-dimethoxybenzoyl)amino]carbamothioyl]benzamide Traditional Name: 2-bromo-N-[(veratroylamino)thiocarbamoyl]benzamide Formula: C17H16BrN3O4S MolecularWeight: 438.29564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16BrN3O4S/c1-24-13-8-7-10(9-14(13)25-2)15(22)20-21-17(26)19-16(23)11-5-3-4-6-12(11)18/h3-9H,1-2H3,(H,20,22)(H2,19,21,23,26)