3-bromanyl-4-(3-methylbutoxy)-N-[[4-(1-phenylethylcarbamoyl)phenyl]carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-(3-methylbutoxy)-N-[[4-(1-phenylethylcarbamoyl)phenyl]carbamothioyl]benzamide Openeye Name: 3-bromo-4-isopentyloxy-N-[[4-(1-phenylethylcarbamoyl)phenyl]carbamothioyl]benzamide CAS Name: 3-bromo-4-(3-methylbutoxy)-N-[[4-[oxo-(1-phenylethylamino)methyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-(3-methylbutoxy)-N-[[4-(1-phenylethylcarbamoyl)phenyl]carbamothioyl]benzamide Traditional Name: 3-bromo-4-isoamoxy-N-[[4-(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)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)NC(C)C3=CC=CC=C3)Br

Isomeric SMILES

CC(C)CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)NC(C)C3=CC=CC=C3)Br

InChI

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