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

Systemtic Name: N-[[(3-bromanyl-4-methoxy-phenyl)carbonylamino]carbamothioyl]-4-hexoxy-benzamide Openeye Name: N-[[(3-bromo-4-methoxy-benzoyl)amino]carbamothioyl]-4-hexoxy-benzamide CAS Name: N-[[[(3-bromo-4-methoxyphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-4-hexoxybenzamide IUPAC Name: N-[[(3-bromo-4-methoxybenzoyl)amino]carbamothioyl]-4-hexoxybenzamide Traditional Name: N-[[(3-bromo-4-methoxy-benzoyl)amino]thiocarbamoyl]-4-hexoxy-benzamide Formula: C22H26BrN3O4S MolecularWeight: 508.42854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26BrN3O4S/c1-3-4-5-6-13-30-17-10-7-15(8-11-17)20(27)24-22(31)26-25-21(28)16-9-12-19(29-2)18(23)14-16/h7-12,14H,3-6,13H2,1-2H3,(H,25,28)(H2,24,26,27,31)