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

Systemtic Name: 5-bromanyl-N-[[3-(butanoylamino)phenyl]carbamothioyl]-2-propan-2-yloxy-benzamide Openeye Name: 5-bromo-N-[[3-(butanoylamino)phenyl]carbamothioyl]-2-isopropoxy-benzamide CAS Name: 5-bromo-N-[[3-(1-oxobutylamino)anilino]-sulfanylidenemethyl]-2-propan-2-yloxybenzamide IUPAC Name: 5-bromo-N-[[3-(butanoylamino)phenyl]carbamothioyl]-2-propan-2-yloxybenzamide Traditional Name: 5-bromo-N-[(3-butyramidophenyl)thiocarbamoyl]-2-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=C(C=CC(=C2)Br)OC(C)C

Isomeric SMILES

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

InChI

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