5-bromanyl-2-hexoxy-N-[[[4-[(3-methylphenyl)carbonylamino]phenyl]carbonylamino]carbamothioyl]benzamide

Systemtic Name: 5-bromanyl-2-hexoxy-N-[[[4-[(3-methylphenyl)carbonylamino]phenyl]carbonylamino]carbamothioyl]benzamide Openeye Name: 5-bromo-2-hexoxy-N-[[[4-[(3-methylbenzoyl)amino]benzoyl]amino]carbamothioyl]benzamide CAS Name: 5-bromo-2-hexoxy-N-[[[[4-[[(3-methylphenyl)-oxomethyl]amino]phenyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-hexoxy-N-[[[4-[(3-methylbenzoyl)amino]benzoyl]amino]carbamothioyl]benzamide Traditional Name: 5-bromo-2-hexoxy-N-[[[4-(m-toluoylamino)benzoyl]amino]thiocarbamoyl]benzamide Formula: C29H31BrN4O4S MolecularWeight: 611.54984

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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=C3)C

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=C3)C

InChI

InChI=1S/C29H31BrN4O4S/c1-3-4-5-6-16-38-25-15-12-22(30)18-24(25)28(37)32-29(39)34-33-27(36)20-10-13-23(14-11-20)31-26(35)21-9-7-8-19(2)17-21/h7-15,17-18H,3-6,16H2,1-2H3,(H,31,35)(H,33,36)(H2,32,34,37,39)