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

Systemtic Name: 3-bromanyl-N-[[(3,4-dimethoxyphenyl)carbonylamino]carbamothioyl]-4-propoxy-benzamide Openeye Name: 3-bromo-N-[[(3,4-dimethoxybenzoyl)amino]carbamothioyl]-4-propoxy-benzamide CAS Name: 3-bromo-N-[[[(3,4-dimethoxyphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-4-propoxybenzamide IUPAC Name: 3-bromo-N-[[(3,4-dimethoxybenzoyl)amino]carbamothioyl]-4-propoxybenzamide Traditional Name: 3-bromo-4-propoxy-N-[(veratroylamino)thiocarbamoyl]benzamide Formula: C20H22BrN3O5S MolecularWeight: 496.37478

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)C2=CC(=C(C=C2)OC)OC)Br

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)C2=CC(=C(C=C2)OC)OC)Br

InChI

InChI=1S/C20H22BrN3O5S/c1-4-9-29-15-7-5-12(10-14(15)21)18(25)22-20(30)24-23-19(26)13-6-8-16(27-2)17(11-13)28-3/h5-8,10-11H,4,9H2,1-3H3,(H,23,26)(H2,22,24,25,30)