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

Systemtic Name: 3-bromanyl-4-butoxy-N-[[4-[(4-tert-butylphenyl)carbonylamino]phenyl]carbamothioyl]benzamide Openeye Name: 3-bromo-4-butoxy-N-[[4-[(4-tert-butylbenzoyl)amino]phenyl]carbamothioyl]benzamide CAS Name: 3-bromo-4-butoxy-N-[[4-[[(4-tert-butylphenyl)-oxomethyl]amino]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-butoxy-N-[[4-[(4-tert-butylbenzoyl)amino]phenyl]carbamothioyl]benzamide Traditional Name: 3-bromo-4-butoxy-N-[[4-[(4-tert-butylbenzoyl)amino]phenyl]thiocarbamoyl]benzamide Formula: C29H32BrN3O3S MolecularWeight: 582.55168

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=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)NC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)C(C)(C)C)Br

InChI

InChI=1S/C29H32BrN3O3S/c1-5-6-17-36-25-16-9-20(18-24(25)30)27(35)33-28(37)32-23-14-12-22(13-15-23)31-26(34)19-7-10-21(11-8-19)29(2,3)4/h7-16,18H,5-6,17H2,1-4H3,(H,31,34)(H2,32,33,35,37)