5-bromanyl-2-hexoxy-N-[[[4-[(2-methylphenyl)carbonylamino]phenyl]carbonylamino]carbamothioyl]benzamide

Systemtic Name: 5-bromanyl-2-hexoxy-N-[[[4-[(2-methylphenyl)carbonylamino]phenyl]carbonylamino]carbamothioyl]benzamide Openeye Name: 5-bromo-2-hexoxy-N-[[[4-[(2-methylbenzoyl)amino]benzoyl]amino]carbamothioyl]benzamide CAS Name: 5-bromo-2-hexoxy-N-[[[[4-[[(2-methylphenyl)-oxomethyl]amino]phenyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-hexoxy-N-[[[4-[(2-methylbenzoyl)amino]benzoyl]amino]carbamothioyl]benzamide Traditional Name: 5-bromo-2-hexoxy-N-[[[4-(o-toluoylamino)benzoyl]amino]thiocarbamoyl]benzamide Formula: C29H31BrN4O4S MolecularWeight: 611.54984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3C

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3C

InChI

InChI=1S/C29H31BrN4O4S/c1-3-4-5-8-17-38-25-16-13-21(30)18-24(25)28(37)32-29(39)34-33-26(35)20-11-14-22(15-12-20)31-27(36)23-10-7-6-9-19(23)2/h6-7,9-16,18H,3-5,8,17H2,1-2H3,(H,31,36)(H,33,35)(H2,32,34,37,39)