N-[[(4-benzamidophenyl)carbonylamino]carbamothioyl]-3-bromanyl-4-propan-2-yloxy-benzamide

Systemtic Name: N-[[(4-benzamidophenyl)carbonylamino]carbamothioyl]-3-bromanyl-4-propan-2-yloxy-benzamide Openeye Name: N-[[(4-benzamidobenzoyl)amino]carbamothioyl]-3-bromo-4-isopropoxy-benzamide CAS Name: N-[[[(4-benzamidophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-3-bromo-4-propan-2-yloxybenzamide IUPAC Name: N-[[(4-benzamidobenzoyl)amino]carbamothioyl]-3-bromo-4-propan-2-yloxybenzamide Traditional Name: N-[[(4-benzamidobenzoyl)amino]thiocarbamoyl]-3-bromo-4-isopropoxy-benzamide Formula: C25H23BrN4O4S MolecularWeight: 555.44352

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H23BrN4O4S/c1-15(2)34-21-13-10-18(14-20(21)26)23(32)28-25(35)30-29-24(33)17-8-11-19(12-9-17)27-22(31)16-6-4-3-5-7-16/h3-15H,1-2H3,(H,27,31)(H,29,33)(H2,28,30,32,35)