5-bromanyl-2-(3-methylbutoxy)-N-[[3-(propanoylamino)phenyl]carbamothioyl]benzamide

Systemtic Name: 5-bromanyl-2-(3-methylbutoxy)-N-[[3-(propanoylamino)phenyl]carbamothioyl]benzamide Openeye Name: 5-bromo-2-isopentyloxy-N-[[3-(propanoylamino)phenyl]carbamothioyl]benzamide CAS Name: 5-bromo-2-(3-methylbutoxy)-N-[[3-(1-oxopropylamino)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-(3-methylbutoxy)-N-[[3-(propanoylamino)phenyl]carbamothioyl]benzamide Traditional Name: 5-bromo-2-isoamoxy-N-[(3-propionamidophenyl)thiocarbamoyl]benzamide Formula: C22H26BrN3O3S MolecularWeight: 492.42914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26BrN3O3S/c1-4-20(27)24-16-6-5-7-17(13-16)25-22(30)26-21(28)18-12-15(23)8-9-19(18)29-11-10-14(2)3/h5-9,12-14H,4,10-11H2,1-3H3,(H,24,27)(H2,25,26,28,30)