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

Systemtic Name: 5-bromanyl-N-[[3-[(4-tert-butylphenyl)carbonylamino]phenyl]carbamothioyl]-2-hexoxy-benzamide Openeye Name: 5-bromo-N-[[3-[(4-tert-butylbenzoyl)amino]phenyl]carbamothioyl]-2-hexoxy-benzamide CAS Name: 5-bromo-N-[[3-[[(4-tert-butylphenyl)-oxomethyl]amino]anilino]-sulfanylidenemethyl]-2-hexoxybenzamide IUPAC Name: 5-bromo-N-[[3-[(4-tert-butylbenzoyl)amino]phenyl]carbamothioyl]-2-hexoxybenzamide Traditional Name: 5-bromo-N-[[3-[(4-tert-butylbenzoyl)amino]phenyl]thiocarbamoyl]-2-hexoxy-benzamide Formula: C31H36BrN3O3S MolecularWeight: 610.60484

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=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

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