3-bromanyl-N-[[3-(2-methoxyethylcarbamoyl)phenyl]carbamothioyl]-4-(3-methylbutoxy)benzamide

Systemtic Name: 3-bromanyl-N-[[3-(2-methoxyethylcarbamoyl)phenyl]carbamothioyl]-4-(3-methylbutoxy)benzamide Openeye Name: 3-bromo-4-isopentyloxy-N-[[3-(2-methoxyethylcarbamoyl)phenyl]carbamothioyl]benzamide CAS Name: 3-bromo-N-[[3-[(2-methoxyethylamino)-oxomethyl]anilino]-sulfanylidenemethyl]-4-(3-methylbutoxy)benzamide IUPAC Name: 3-bromo-N-[[3-(2-methoxyethylcarbamoyl)phenyl]carbamothioyl]-4-(3-methylbutoxy)benzamide Traditional Name: 3-bromo-4-isoamoxy-N-[[3-(2-methoxyethylcarbamoyl)phenyl]thiocarbamoyl]benzamide Formula: C23H28BrN3O4S MolecularWeight: 522.45512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28BrN3O4S/c1-15(2)9-11-31-20-8-7-17(14-19(20)24)22(29)27-23(32)26-18-6-4-5-16(13-18)21(28)25-10-12-30-3/h4-8,13-15H,9-12H2,1-3H3,(H,25,28)(H2,26,27,29,32)