3-(2-methylpropoxy)-N-(quinolin-8-ylcarbamothioyl)benzamide

Systemtic Name: 3-(2-methylpropoxy)-N-(quinolin-8-ylcarbamothioyl)benzamide Openeye Name: 3-isobutoxy-N-(8-quinolylcarbamothioyl)benzamide CAS Name: 3-(2-methylpropoxy)-N-[(8-quinolinylamino)-sulfanylidenemethyl]benzamide IUPAC Name: 3-(2-methylpropoxy)-N-(quinolin-8-ylcarbamothioyl)benzamide Traditional Name: 3-isobutoxy-N-(8-quinolylthiocarbamoyl)benzamide Formula: C21H21N3O2S MolecularWeight: 379.47534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=CC3=C2N=CC=C3

Isomeric SMILES

CC(C)COC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=CC3=C2N=CC=C3

InChI

InChI=1S/C21H21N3O2S/c1-14(2)13-26-17-9-3-7-16(12-17)20(25)24-21(27)23-18-10-4-6-15-8-5-11-22-19(15)18/h3-12,14H,13H2,1-2H3,(H2,23,24,25,27)