N-[[(4-benzamidophenyl)carbonylamino]carbamothioyl]-5-bromanyl-2-(3-methylbutoxy)benzamide

Systemtic Name: N-[[(4-benzamidophenyl)carbonylamino]carbamothioyl]-5-bromanyl-2-(3-methylbutoxy)benzamide Openeye Name: N-[[(4-benzamidobenzoyl)amino]carbamothioyl]-5-bromo-2-isopentyloxy-benzamide CAS Name: N-[[[(4-benzamidophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-5-bromo-2-(3-methylbutoxy)benzamide IUPAC Name: N-[[(4-benzamidobenzoyl)amino]carbamothioyl]-5-bromo-2-(3-methylbutoxy)benzamide Traditional Name: N-[[(4-benzamidobenzoyl)amino]thiocarbamoyl]-5-bromo-2-isoamoxy-benzamide Formula: C27H27BrN4O4S MolecularWeight: 583.49668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)CCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C27H27BrN4O4S/c1-17(2)14-15-36-23-13-10-20(28)16-22(23)26(35)30-27(37)32-31-25(34)19-8-11-21(12-9-19)29-24(33)18-6-4-3-5-7-18/h3-13,16-17H,14-15H2,1-2H3,(H,29,33)(H,31,34)(H2,30,32,35,37)