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

Systemtic Name: 3-bromanyl-4-methyl-N-[[2-methyl-3-(propanoylamino)phenyl]carbamothioyl]benzamide Openeye Name: 3-bromo-4-methyl-N-[[2-methyl-3-(propanoylamino)phenyl]carbamothioyl]benzamide CAS Name: 3-bromo-4-methyl-N-[[2-methyl-3-(1-oxopropylamino)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-methyl-N-[[2-methyl-3-(propanoylamino)phenyl]carbamothioyl]benzamide Traditional Name: 3-bromo-4-methyl-N-[(2-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)21-15-6-5-7-16(12(15)3)22-19(26)23-18(25)13-9-8-11(2)14(20)10-13/h5-10H,4H2,1-3H3,(H,21,24)(H2,22,23,25,26)