3-(2-methylpropoxy)-N-[(2-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide

Systemtic Name: 3-(2-methylpropoxy)-N-[(2-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide Openeye Name: 3-isobutoxy-N-[(2-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide CAS Name: 3-(2-methylpropoxy)-N-[[2-(1-pyrrolidinyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-(2-methylpropoxy)-N-[(2-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide Traditional Name: 3-isobutoxy-N-[(2-pyrrolidinophenyl)thiocarbamoyl]benzamide Formula: C22H27N3O2S MolecularWeight: 397.53368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=CC=C2N3CCCC3

Isomeric SMILES

CC(C)COC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=CC=C2N3CCCC3

InChI

InChI=1S/C22H27N3O2S/c1-16(2)15-27-18-9-7-8-17(14-18)21(26)24-22(28)23-19-10-3-4-11-20(19)25-12-5-6-13-25/h3-4,7-11,14,16H,5-6,12-13,15H2,1-2H3,(H2,23,24,26,28)