3-(2-methylpropoxy)-N-(quinolin-5-ylcarbamothioyl)benzamide

Systemtic Name: 3-(2-methylpropoxy)-N-(quinolin-5-ylcarbamothioyl)benzamide Openeye Name: 3-isobutoxy-N-(5-quinolylcarbamothioyl)benzamide CAS Name: 3-(2-methylpropoxy)-N-[(5-quinolinylamino)-sulfanylidenemethyl]benzamide IUPAC Name: 3-(2-methylpropoxy)-N-(quinolin-5-ylcarbamothioyl)benzamide Traditional Name: 3-isobutoxy-N-(5-quinolylthiocarbamoyl)benzamide Formula: C21H21N3O2S MolecularWeight: 379.47534

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=CC3=C2C=CC=N3

Isomeric SMILES

CC(C)COC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=CC3=C2C=CC=N3

InChI

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