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

Systemtic Name: 3-bromanyl-N-[[4-[(4-tert-butylphenyl)carbonylamino]phenyl]carbamothioyl]-4-hexoxy-benzamide Openeye Name: 3-bromo-N-[[4-[(4-tert-butylbenzoyl)amino]phenyl]carbamothioyl]-4-hexoxy-benzamide CAS Name: 3-bromo-N-[[4-[[(4-tert-butylphenyl)-oxomethyl]amino]anilino]-sulfanylidenemethyl]-4-hexoxybenzamide IUPAC Name: 3-bromo-N-[[4-[(4-tert-butylbenzoyl)amino]phenyl]carbamothioyl]-4-hexoxybenzamide Traditional Name: 3-bromo-N-[[4-[(4-tert-butylbenzoyl)amino]phenyl]thiocarbamoyl]-4-hexoxy-benzamide Formula: C31H36BrN3O3S MolecularWeight: 610.60484

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=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

CCCCCCOC1=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/C31H36BrN3O3S/c1-5-6-7-8-19-38-27-18-11-22(20-26(27)32)29(37)35-30(39)34-25-16-14-24(15-17-25)33-28(36)21-9-12-23(13-10-21)31(2,3)4/h9-18,20H,5-8,19H2,1-4H3,(H,33,36)(H2,34,35,37,39)