4-butoxy-N-(quinolin-5-ylcarbamothioyl)benzamide

Systemtic Name: 4-butoxy-N-(quinolin-5-ylcarbamothioyl)benzamide Openeye Name: 4-butoxy-N-(5-quinolylcarbamothioyl)benzamide CAS Name: 4-butoxy-N-[(5-quinolinylamino)-sulfanylidenemethyl]benzamide IUPAC Name: 4-butoxy-N-(quinolin-5-ylcarbamothioyl)benzamide Traditional Name: 4-butoxy-N-(5-quinolylthiocarbamoyl)benzamide Formula: C21H21N3O2S MolecularWeight: 379.47534

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC3=C2C=CC=N3

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC3=C2C=CC=N3

InChI

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