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

Systemtic Name: 3-bromanyl-N-[[[4-[(4-tert-butylphenyl)carbonylamino]phenyl]carbonylamino]carbamothioyl]-4-hexoxy-benzamide Openeye Name: 3-bromo-N-[[[4-[(4-tert-butylbenzoyl)amino]benzoyl]amino]carbamothioyl]-4-hexoxy-benzamide CAS Name: 3-bromo-N-[[[[4-[[(4-tert-butylphenyl)-oxomethyl]amino]phenyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]-4-hexoxybenzamide IUPAC Name: 3-bromo-N-[[[4-[(4-tert-butylbenzoyl)amino]benzoyl]amino]carbamothioyl]-4-hexoxybenzamide Traditional Name: 3-bromo-N-[[[4-[(4-tert-butylbenzoyl)amino]benzoyl]amino]thiocarbamoyl]-4-hexoxy-benzamide Formula: C32H37BrN4O4S MolecularWeight: 653.62958

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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=C(C=C3)C(C)(C)C)Br

Isomeric SMILES

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

InChI

InChI=1S/C32H37BrN4O4S/c1-5-6-7-8-19-41-27-18-13-23(20-26(27)33)29(39)35-31(42)37-36-30(40)22-11-16-25(17-12-22)34-28(38)21-9-14-24(15-10-21)32(2,3)4/h9-18,20H,5-8,19H2,1-4H3,(H,34,38)(H,36,40)(H2,35,37,39,42)