3-bromanyl-4-(3-methylbutoxy)-N-[[(4-phenylphenyl)carbonylamino]carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-(3-methylbutoxy)-N-[[(4-phenylphenyl)carbonylamino]carbamothioyl]benzamide Openeye Name: 3-bromo-4-isopentyloxy-N-[[(4-phenylbenzoyl)amino]carbamothioyl]benzamide CAS Name: 3-bromo-4-(3-methylbutoxy)-N-[[[oxo-(4-phenylphenyl)methyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-(3-methylbutoxy)-N-[[(4-phenylbenzoyl)amino]carbamothioyl]benzamide Traditional Name: 3-bromo-4-isoamoxy-N-[[(4-phenylbenzoyl)amino]thiocarbamoyl]benzamide Formula: C26H26BrN3O3S MolecularWeight: 540.47194

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H26BrN3O3S/c1-17(2)14-15-33-23-13-12-21(16-22(23)27)24(31)28-26(34)30-29-25(32)20-10-8-19(9-11-20)18-6-4-3-5-7-18/h3-13,16-17H,14-15H2,1-2H3,(H,29,32)(H2,28,30,31,34)