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

Systemtic Name: 3-bromanyl-N-[[3-(2-methoxyethylcarbamoyl)phenyl]carbamothioyl]-4-methyl-benzamide Openeye Name: 3-bromo-N-[[3-(2-methoxyethylcarbamoyl)phenyl]carbamothioyl]-4-methyl-benzamide CAS Name: 3-bromo-N-[[3-[(2-methoxyethylamino)-oxomethyl]anilino]-sulfanylidenemethyl]-4-methylbenzamide IUPAC Name: 3-bromo-N-[[3-(2-methoxyethylcarbamoyl)phenyl]carbamothioyl]-4-methylbenzamide Traditional Name: 3-bromo-N-[[3-(2-methoxyethylcarbamoyl)phenyl]thiocarbamoyl]-4-methyl-benzamide Formula: C19H20BrN3O3S MolecularWeight: 450.3494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)NCCOC)Br

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)NCCOC)Br

InChI

InChI=1S/C19H20BrN3O3S/c1-12-6-7-14(11-16(12)20)18(25)23-19(27)22-15-5-3-4-13(10-15)17(24)21-8-9-26-2/h3-7,10-11H,8-9H2,1-2H3,(H,21,24)(H2,22,23,25,27)