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

Systemtic Name: N-[[2-methyl-3-(propanoylamino)phenyl]carbamothioyl]-4-(2-methylpropoxy)benzamide Openeye Name: 4-isobutoxy-N-[[2-methyl-3-(propanoylamino)phenyl]carbamothioyl]benzamide CAS Name: N-[[2-methyl-3-(1-oxopropylamino)anilino]-sulfanylidenemethyl]-4-(2-methylpropoxy)benzamide IUPAC Name: N-[[2-methyl-3-(propanoylamino)phenyl]carbamothioyl]-4-(2-methylpropoxy)benzamide Traditional Name: 4-isobutoxy-N-[(2-methyl-3-propionamido-phenyl)thiocarbamoyl]benzamide Formula: C22H27N3O3S MolecularWeight: 413.53308

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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)OCC(C)C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O3S/c1-5-20(26)23-18-7-6-8-19(15(18)4)24-22(29)25-21(27)16-9-11-17(12-10-16)28-13-14(2)3/h6-12,14H,5,13H2,1-4H3,(H,23,26)(H2,24,25,27,29)