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

Systemtic Name: 3-bromanyl-N-[[4-[(4-tert-butylphenyl)carbonylamino]phenyl]carbamothioyl]-4-phenethyloxy-benzamide Openeye Name: 3-bromo-N-[[4-[(4-tert-butylbenzoyl)amino]phenyl]carbamothioyl]-4-phenethyloxy-benzamide CAS Name: 3-bromo-N-[[4-[[(4-tert-butylphenyl)-oxomethyl]amino]anilino]-sulfanylidenemethyl]-4-phenethyloxybenzamide IUPAC Name: 3-bromo-N-[[4-[(4-tert-butylbenzoyl)amino]phenyl]carbamothioyl]-4-phenethyloxybenzamide Traditional Name: 3-bromo-N-[[4-[(4-tert-butylbenzoyl)amino]phenyl]thiocarbamoyl]-4-phenethyloxy-benzamide Formula: C33H32BrN3O3S MolecularWeight: 630.59448

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=C(C=C3)OCCC4=CC=CC=C4)Br

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=C(C=C3)OCCC4=CC=CC=C4)Br

InChI

InChI=1S/C33H32BrN3O3S/c1-33(2,3)25-12-9-23(10-13-25)30(38)35-26-14-16-27(17-15-26)36-32(41)37-31(39)24-11-18-29(28(34)21-24)40-20-19-22-7-5-4-6-8-22/h4-18,21H,19-20H2,1-3H3,(H,35,38)(H2,36,37,39,41)