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

Systemtic Name: 3-bromanyl-N-[[(3,4-dimethoxyphenyl)carbonylamino]carbamothioyl]-4-hexoxy-benzamide Openeye Name: 3-bromo-N-[[(3,4-dimethoxybenzoyl)amino]carbamothioyl]-4-hexoxy-benzamide CAS Name: 3-bromo-N-[[[(3,4-dimethoxyphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-4-hexoxybenzamide IUPAC Name: 3-bromo-N-[[(3,4-dimethoxybenzoyl)amino]carbamothioyl]-4-hexoxybenzamide Traditional Name: 3-bromo-4-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)C(=O)NC(=S)NNC(=O)C2=CC(=C(C=C2)OC)OC)Br

Isomeric SMILES

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

InChI

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