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

Systemtic Name: 3-butoxy-N-[[3-(2-methylpropoxy)phenyl]carbamothioyl]benzamide Openeye Name: 3-butoxy-N-[(3-isobutoxyphenyl)carbamothioyl]benzamide CAS Name: 3-butoxy-N-[[3-(2-methylpropoxy)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-butoxy-N-[[3-(2-methylpropoxy)phenyl]carbamothioyl]benzamide Traditional Name: 3-butoxy-N-[(3-isobutoxyphenyl)thiocarbamoyl]benzamide Formula: C22H28N2O3S MolecularWeight: 400.53432

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC(=CC=C2)OCC(C)C

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC(=CC=C2)OCC(C)C

InChI

InChI=1S/C22H28N2O3S/c1-4-5-12-26-19-10-6-8-17(13-19)21(25)24-22(28)23-18-9-7-11-20(14-18)27-15-16(2)3/h6-11,13-14,16H,4-5,12,15H2,1-3H3,(H2,23,24,25,28)