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

Systemtic Name: 5-bromanyl-2-butoxy-N-[[(3,4-dimethoxyphenyl)carbonylamino]carbamothioyl]benzamide Openeye Name: 5-bromo-2-butoxy-N-[[(3,4-dimethoxybenzoyl)amino]carbamothioyl]benzamide CAS Name: 5-bromo-2-butoxy-N-[[[(3,4-dimethoxyphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-butoxy-N-[[(3,4-dimethoxybenzoyl)amino]carbamothioyl]benzamide Traditional Name: 5-bromo-2-butoxy-N-[(veratroylamino)thiocarbamoyl]benzamide Formula: C21H24BrN3O5S MolecularWeight: 510.40136

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NNC(=O)C2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NNC(=O)C2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C21H24BrN3O5S/c1-4-5-10-30-16-9-7-14(22)12-15(16)20(27)23-21(31)25-24-19(26)13-6-8-17(28-2)18(11-13)29-3/h6-9,11-12H,4-5,10H2,1-3H3,(H,24,26)(H2,23,25,27,31)