3-bromanyl-4-(3-methylbutoxy)-N-[[2-methyl-3-(propanoylamino)phenyl]carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-(3-methylbutoxy)-N-[[2-methyl-3-(propanoylamino)phenyl]carbamothioyl]benzamide Openeye Name: 3-bromo-4-isopentyloxy-N-[[2-methyl-3-(propanoylamino)phenyl]carbamothioyl]benzamide CAS Name: 3-bromo-4-(3-methylbutoxy)-N-[[2-methyl-3-(1-oxopropylamino)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-(3-methylbutoxy)-N-[[2-methyl-3-(propanoylamino)phenyl]carbamothioyl]benzamide Traditional Name: 3-bromo-4-isoamoxy-N-[(2-methyl-3-propionamido-phenyl)thiocarbamoyl]benzamide Formula: C23H28BrN3O3S MolecularWeight: 506.45572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28BrN3O3S/c1-5-21(28)25-18-7-6-8-19(15(18)4)26-23(31)27-22(29)16-9-10-20(17(24)13-16)30-12-11-14(2)3/h6-10,13-14H,5,11-12H2,1-4H3,(H,25,28)(H2,26,27,29,31)