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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=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

CCCOC1=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/C28H30BrN3O3S/c1-5-16-35-24-15-8-19(17-23(24)29)26(34)32-27(36)31-22-13-11-21(12-14-22)30-25(33)18-6-9-20(10-7-18)28(2,3)4/h6-15,17H,5,16H2,1-4H3,(H,30,33)(H2,31,32,34,36)