3-bromanyl-4-(3-methylbutoxy)-N-[[3-(propanoylamino)phenyl]carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-(3-methylbutoxy)-N-[[3-(propanoylamino)phenyl]carbamothioyl]benzamide Openeye Name: 3-bromo-4-isopentyloxy-N-[[3-(propanoylamino)phenyl]carbamothioyl]benzamide CAS Name: 3-bromo-4-(3-methylbutoxy)-N-[[3-(1-oxopropylamino)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-(3-methylbutoxy)-N-[[3-(propanoylamino)phenyl]carbamothioyl]benzamide Traditional Name: 3-bromo-4-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=CC(=C(C=C2)OCCC(C)C)Br

Isomeric SMILES

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

InChI

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