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

Systemtic Name: 3-(2-methylpropoxy)-N-[[4-(propanoylamino)phenyl]carbamothioyl]benzamide Openeye Name: 3-isobutoxy-N-[[4-(propanoylamino)phenyl]carbamothioyl]benzamide CAS Name: 3-(2-methylpropoxy)-N-[[4-(1-oxopropylamino)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-(2-methylpropoxy)-N-[[4-(propanoylamino)phenyl]carbamothioyl]benzamide Traditional Name: 3-isobutoxy-N-[(4-propionamidophenyl)thiocarbamoyl]benzamide Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O3S/c1-4-19(25)22-16-8-10-17(11-9-16)23-21(28)24-20(26)15-6-5-7-18(12-15)27-13-14(2)3/h5-12,14H,4,13H2,1-3H3,(H,22,25)(H2,23,24,26,28)