3-butoxy-N-[(2-methylquinolin-8-yl)carbamothioyl]benzamide

Systemtic Name: 3-butoxy-N-[(2-methylquinolin-8-yl)carbamothioyl]benzamide Openeye Name: 3-butoxy-N-[(2-methyl-8-quinolyl)carbamothioyl]benzamide CAS Name: 3-butoxy-N-[[(2-methyl-8-quinolinyl)amino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-butoxy-N-[(2-methylquinolin-8-yl)carbamothioyl]benzamide Traditional Name: 3-butoxy-N-[(2-methyl-8-quinolyl)thiocarbamoyl]benzamide Formula: C22H23N3O2S MolecularWeight: 393.50192

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O2S/c1-3-4-13-27-18-9-5-8-17(14-18)21(26)25-22(28)24-19-10-6-7-16-12-11-15(2)23-20(16)19/h5-12,14H,3-4,13H2,1-2H3,(H2,24,25,26,28)