3-bromanyl-4-methyl-N-[[(4-phenylmethoxyphenyl)carbonylamino]carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-methyl-N-[[(4-phenylmethoxyphenyl)carbonylamino]carbamothioyl]benzamide Openeye Name: N-[[(4-benzyloxybenzoyl)amino]carbamothioyl]-3-bromo-4-methyl-benzamide CAS Name: 3-bromo-4-methyl-N-[[[oxo-(4-phenylmethoxyphenyl)methyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-methyl-N-[[(4-phenylmethoxybenzoyl)amino]carbamothioyl]benzamide Traditional Name: N-[[(4-benzoxybenzoyl)amino]thiocarbamoyl]-3-bromo-4-methyl-benzamide Formula: C23H20BrN3O3S MolecularWeight: 498.3922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)OCC3=CC=CC=C3)Br

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)OCC3=CC=CC=C3)Br

InChI

InChI=1S/C23H20BrN3O3S/c1-15-7-8-18(13-20(15)24)21(28)25-23(31)27-26-22(29)17-9-11-19(12-10-17)30-14-16-5-3-2-4-6-16/h2-13H,14H2,1H3,(H,26,29)(H2,25,27,28,31)