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

Systemtic Name: 3-bromanyl-4-ethoxy-N-[[2-methyl-3-(propanoylamino)phenyl]carbamothioyl]benzamide Openeye Name: 3-bromo-4-ethoxy-N-[[2-methyl-3-(propanoylamino)phenyl]carbamothioyl]benzamide CAS Name: 3-bromo-4-ethoxy-N-[[2-methyl-3-(1-oxopropylamino)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-ethoxy-N-[[2-methyl-3-(propanoylamino)phenyl]carbamothioyl]benzamide Traditional Name: 3-bromo-4-ethoxy-N-[(2-methyl-3-propionamido-phenyl)thiocarbamoyl]benzamide Formula: C20H22BrN3O3S MolecularWeight: 464.37598

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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)OCC)Br)C

Isomeric SMILES

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

InChI

InChI=1S/C20H22BrN3O3S/c1-4-18(25)22-15-7-6-8-16(12(15)3)23-20(28)24-19(26)13-9-10-17(27-5-2)14(21)11-13/h6-11H,4-5H2,1-3H3,(H,22,25)(H2,23,24,26,28)