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

Systemtic Name: 3-bromanyl-N-[[3-(2-methoxyethylcarbamoyl)phenyl]carbamothioyl]-4-(2-methylpropoxy)benzamide Openeye Name: 3-bromo-4-isobutoxy-N-[[3-(2-methoxyethylcarbamoyl)phenyl]carbamothioyl]benzamide CAS Name: 3-bromo-N-[[3-[(2-methoxyethylamino)-oxomethyl]anilino]-sulfanylidenemethyl]-4-(2-methylpropoxy)benzamide IUPAC Name: 3-bromo-N-[[3-(2-methoxyethylcarbamoyl)phenyl]carbamothioyl]-4-(2-methylpropoxy)benzamide Traditional Name: 3-bromo-4-isobutoxy-N-[[3-(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(=C2)C(=O)NCCOC)Br

Isomeric SMILES

CC(C)COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)NCCOC)Br

InChI

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