5-bromanyl-2-(3-methylbutoxy)-N-[[2-(1-phenylethylcarbamoyl)phenyl]carbamothioyl]benzamide

Systemtic Name: 5-bromanyl-2-(3-methylbutoxy)-N-[[2-(1-phenylethylcarbamoyl)phenyl]carbamothioyl]benzamide Openeye Name: 5-bromo-2-isopentyloxy-N-[[2-(1-phenylethylcarbamoyl)phenyl]carbamothioyl]benzamide CAS Name: 5-bromo-2-(3-methylbutoxy)-N-[[2-[oxo-(1-phenylethylamino)methyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-(3-methylbutoxy)-N-[[2-(1-phenylethylcarbamoyl)phenyl]carbamothioyl]benzamide Traditional Name: 5-bromo-2-isoamoxy-N-[[2-(1-phenylethylcarbamoyl)phenyl]thiocarbamoyl]benzamide Formula: C28H30BrN3O3S MolecularWeight: 568.5251

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=CC=C2C(=O)NC(C)C3=CC=CC=C3

Isomeric SMILES

CC(C)CCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=CC=C2C(=O)NC(C)C3=CC=CC=C3

InChI

InChI=1S/C28H30BrN3O3S/c1-18(2)15-16-35-25-14-13-21(29)17-23(25)27(34)32-28(36)31-24-12-8-7-11-22(24)26(33)30-19(3)20-9-5-4-6-10-20/h4-14,17-19H,15-16H2,1-3H3,(H,30,33)(H2,31,32,34,36)