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

Systemtic Name: 3-bromanyl-4-methyl-N-[[4-methyl-3-(propanoylamino)phenyl]carbamothioyl]benzamide Openeye Name: 3-bromo-4-methyl-N-[[4-methyl-3-(propanoylamino)phenyl]carbamothioyl]benzamide CAS Name: 3-bromo-4-methyl-N-[[4-methyl-3-(1-oxopropylamino)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-methyl-N-[[4-methyl-3-(propanoylamino)phenyl]carbamothioyl]benzamide Traditional Name: 3-bromo-4-methyl-N-[(4-methyl-3-propionamido-phenyl)thiocarbamoyl]benzamide Formula: C19H20BrN3O2S MolecularWeight: 434.35

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=C(C=CC(=C1)NC(=S)NC(=O)C2=CC(=C(C=C2)C)Br)C

Isomeric SMILES

CCC(=O)NC1=C(C=CC(=C1)NC(=S)NC(=O)C2=CC(=C(C=C2)C)Br)C

InChI

InChI=1S/C19H20BrN3O2S/c1-4-17(24)22-16-10-14(8-6-12(16)3)21-19(26)23-18(25)13-7-5-11(2)15(20)9-13/h5-10H,4H2,1-3H3,(H,22,24)(H2,21,23,25,26)