N-[[(3-bromanyl-4-methoxy-phenyl)carbonylamino]carbamothioyl]-3-butoxy-benzamide

Systemtic Name: N-[[(3-bromanyl-4-methoxy-phenyl)carbonylamino]carbamothioyl]-3-butoxy-benzamide Openeye Name: N-[[(3-bromo-4-methoxy-benzoyl)amino]carbamothioyl]-3-butoxy-benzamide CAS Name: N-[[[(3-bromo-4-methoxyphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-3-butoxybenzamide IUPAC Name: N-[[(3-bromo-4-methoxybenzoyl)amino]carbamothioyl]-3-butoxybenzamide Traditional Name: N-[[(3-bromo-4-methoxy-benzoyl)amino]thiocarbamoyl]-3-butoxy-benzamide Formula: C20H22BrN3O4S MolecularWeight: 480.37538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22BrN3O4S/c1-3-4-10-28-15-7-5-6-13(11-15)18(25)22-20(29)24-23-19(26)14-8-9-17(27-2)16(21)12-14/h5-9,11-12H,3-4,10H2,1-2H3,(H,23,26)(H2,22,24,25,29)