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

Systemtic Name: 3-bromanyl-N-[[2-(2-methoxyethylcarbamoyl)phenyl]carbamothioyl]-4-(2-methylpropoxy)benzamide Openeye Name: 3-bromo-4-isobutoxy-N-[[2-(2-methoxyethylcarbamoyl)phenyl]carbamothioyl]benzamide CAS Name: 3-bromo-N-[[2-[(2-methoxyethylamino)-oxomethyl]anilino]-sulfanylidenemethyl]-4-(2-methylpropoxy)benzamide IUPAC Name: 3-bromo-N-[[2-(2-methoxyethylcarbamoyl)phenyl]carbamothioyl]-4-(2-methylpropoxy)benzamide Traditional Name: 3-bromo-4-isobutoxy-N-[[2-(2-methoxyethylcarbamoyl)phenyl]thiocarbamoyl]benzamide Formula: C22H26BrN3O4S MolecularWeight: 508.42854

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)NCCOC)Br

Isomeric SMILES

CC(C)COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)NCCOC)Br

InChI

InChI=1S/C22H26BrN3O4S/c1-14(2)13-30-19-9-8-15(12-17(19)23)20(27)26-22(31)25-18-7-5-4-6-16(18)21(28)24-10-11-29-3/h4-9,12,14H,10-11,13H2,1-3H3,(H,24,28)(H2,25,26,27,31)