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

Systemtic Name: 3-bromanyl-4-butoxy-N-[[[4-[(4-tert-butylphenyl)carbonylamino]phenyl]carbonylamino]carbamothioyl]benzamide Openeye Name: 3-bromo-4-butoxy-N-[[[4-[(4-tert-butylbenzoyl)amino]benzoyl]amino]carbamothioyl]benzamide CAS Name: 3-bromo-4-butoxy-N-[[[[4-[[(4-tert-butylphenyl)-oxomethyl]amino]phenyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-butoxy-N-[[[4-[(4-tert-butylbenzoyl)amino]benzoyl]amino]carbamothioyl]benzamide Traditional Name: 3-bromo-4-butoxy-N-[[[4-[(4-tert-butylbenzoyl)amino]benzoyl]amino]thiocarbamoyl]benzamide Formula: C30H33BrN4O4S MolecularWeight: 625.57642

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=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

CCCCOC1=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/C30H33BrN4O4S/c1-5-6-17-39-25-16-11-21(18-24(25)31)27(37)33-29(40)35-34-28(38)20-9-14-23(15-10-20)32-26(36)19-7-12-22(13-8-19)30(2,3)4/h7-16,18H,5-6,17H2,1-4H3,(H,32,36)(H,34,38)(H2,33,35,37,40)