5-bromanyl-N-[[3-[(4-tert-butylphenyl)carbonylamino]phenyl]carbamothioyl]-2-propan-2-yloxy-benzamide

Systemtic Name: 5-bromanyl-N-[[3-[(4-tert-butylphenyl)carbonylamino]phenyl]carbamothioyl]-2-propan-2-yloxy-benzamide Openeye Name: 5-bromo-N-[[3-[(4-tert-butylbenzoyl)amino]phenyl]carbamothioyl]-2-isopropoxy-benzamide CAS Name: 5-bromo-N-[[3-[[(4-tert-butylphenyl)-oxomethyl]amino]anilino]-sulfanylidenemethyl]-2-propan-2-yloxybenzamide IUPAC Name: 5-bromo-N-[[3-[(4-tert-butylbenzoyl)amino]phenyl]carbamothioyl]-2-propan-2-yloxybenzamide Traditional Name: 5-bromo-N-[[3-[(4-tert-butylbenzoyl)amino]phenyl]thiocarbamoyl]-2-isopropoxy-benzamide Formula: C28H30BrN3O3S MolecularWeight: 568.5251

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C28H30BrN3O3S/c1-17(2)35-24-14-13-20(29)15-23(24)26(34)32-27(36)31-22-8-6-7-21(16-22)30-25(33)18-9-11-19(12-10-18)28(3,4)5/h6-17H,1-5H3,(H,30,33)(H2,31,32,34,36)