4-butoxy-N-[(2-methylquinolin-5-yl)carbamothioyl]benzamide

Systemtic Name: 4-butoxy-N-[(2-methylquinolin-5-yl)carbamothioyl]benzamide Openeye Name: 4-butoxy-N-[(2-methyl-5-quinolyl)carbamothioyl]benzamide CAS Name: 4-butoxy-N-[[(2-methyl-5-quinolinyl)amino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-butoxy-N-[(2-methylquinolin-5-yl)carbamothioyl]benzamide Traditional Name: 4-butoxy-N-[(2-methyl-5-quinolyl)thiocarbamoyl]benzamide Formula: C22H23N3O2S MolecularWeight: 393.50192

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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)C

Isomeric SMILES

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

InChI

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