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

Systemtic Name: 5-bromanyl-N-[[(3,4-dimethoxyphenyl)carbonylamino]carbamothioyl]-2-propoxy-benzamide Openeye Name: 5-bromo-N-[[(3,4-dimethoxybenzoyl)amino]carbamothioyl]-2-propoxy-benzamide CAS Name: 5-bromo-N-[[[(3,4-dimethoxyphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-2-propoxybenzamide IUPAC Name: 5-bromo-N-[[(3,4-dimethoxybenzoyl)amino]carbamothioyl]-2-propoxybenzamide Traditional Name: 5-bromo-2-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)Br)C(=O)NC(=S)NNC(=O)C2=CC(=C(C=C2)OC)OC

Isomeric SMILES

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

InChI

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