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

Systemtic Name: 3-bromanyl-4-hexoxy-N-[[[4-[(2-methylphenyl)carbonylamino]phenyl]carbonylamino]carbamothioyl]benzamide Openeye Name: 3-bromo-4-hexoxy-N-[[[4-[(2-methylbenzoyl)amino]benzoyl]amino]carbamothioyl]benzamide CAS Name: 3-bromo-4-hexoxy-N-[[[[4-[[(2-methylphenyl)-oxomethyl]amino]phenyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-hexoxy-N-[[[4-[(2-methylbenzoyl)amino]benzoyl]amino]carbamothioyl]benzamide Traditional Name: 3-bromo-4-hexoxy-N-[[[4-(o-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)C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3C)Br

Isomeric SMILES

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

InChI

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