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

Systemtic Name: 5-bromanyl-N-[[(3,4-dimethoxyphenyl)carbonylamino]carbamothioyl]-2-hexoxy-benzamide Openeye Name: 5-bromo-N-[[(3,4-dimethoxybenzoyl)amino]carbamothioyl]-2-hexoxy-benzamide CAS Name: 5-bromo-N-[[[(3,4-dimethoxyphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-2-hexoxybenzamide IUPAC Name: 5-bromo-N-[[(3,4-dimethoxybenzoyl)amino]carbamothioyl]-2-hexoxybenzamide Traditional Name: 5-bromo-2-hexoxy-N-[(veratroylamino)thiocarbamoyl]benzamide Formula: C23H28BrN3O5S MolecularWeight: 538.45452

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NNC(=O)C2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NNC(=O)C2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C23H28BrN3O5S/c1-4-5-6-7-12-32-18-11-9-16(24)14-17(18)22(29)25-23(33)27-26-21(28)15-8-10-19(30-2)20(13-15)31-3/h8-11,13-14H,4-7,12H2,1-3H3,(H,26,28)(H2,25,27,29,33)