3-bromanyl-N-[[3-(butanoylamino)phenyl]carbamothioyl]-4-propan-2-yloxy-benzamide

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24BrN3O3S/c1-4-6-19(26)23-15-7-5-8-16(12-15)24-21(29)25-20(27)14-9-10-18(17(22)11-14)28-13(2)3/h5,7-13H,4,6H2,1-3H3,(H,23,26)(H2,24,25,27,29)