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

Systemtic Name: 3-butoxy-N-[[4-(2-methylpropoxy)phenyl]carbamothioyl]benzamide Openeye Name: 3-butoxy-N-[(4-isobutoxyphenyl)carbamothioyl]benzamide CAS Name: 3-butoxy-N-[[4-(2-methylpropoxy)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-butoxy-N-[[4-(2-methylpropoxy)phenyl]carbamothioyl]benzamide Traditional Name: 3-butoxy-N-[(4-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=C(C=C2)OCC(C)C

Isomeric SMILES

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

InChI

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