3-butoxy-N-(quinolin-8-ylcarbamothioyl)benzamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=CC3=C2N=CC=C3

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=CC3=C2N=CC=C3

InChI

InChI=1S/C21H21N3O2S/c1-2-3-13-26-17-10-4-8-16(14-17)20(25)24-21(27)23-18-11-5-7-15-9-6-12-22-19(15)18/h4-12,14H,2-3,13H2,1H3,(H2,23,24,25,27)