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

Systemtic Name: 5-bromanyl-N-[[4-methyl-3-(propanoylamino)phenyl]carbamothioyl]-2-propan-2-yloxy-benzamide Openeye Name: 5-bromo-2-isopropoxy-N-[[4-methyl-3-(propanoylamino)phenyl]carbamothioyl]benzamide CAS Name: 5-bromo-N-[[4-methyl-3-(1-oxopropylamino)anilino]-sulfanylidenemethyl]-2-propan-2-yloxybenzamide IUPAC Name: 5-bromo-N-[[4-methyl-3-(propanoylamino)phenyl]carbamothioyl]-2-propan-2-yloxybenzamide Traditional Name: 5-bromo-2-isopropoxy-N-[(4-methyl-3-propionamido-phenyl)thiocarbamoyl]benzamide Formula: C21H24BrN3O3S MolecularWeight: 478.40256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24BrN3O3S/c1-5-19(26)24-17-11-15(8-6-13(17)4)23-21(29)25-20(27)16-10-14(22)7-9-18(16)28-12(2)3/h6-12H,5H2,1-4H3,(H,24,26)(H2,23,25,27,29)