N-[(2-methylquinolin-5-yl)carbamothioyl]-3-propoxy-benzamide

Systemtic Name: N-[(2-methylquinolin-5-yl)carbamothioyl]-3-propoxy-benzamide Openeye Name: N-[(2-methyl-5-quinolyl)carbamothioyl]-3-propoxy-benzamide CAS Name: N-[[(2-methyl-5-quinolinyl)amino]-sulfanylidenemethyl]-3-propoxybenzamide IUPAC Name: N-[(2-methylquinolin-5-yl)carbamothioyl]-3-propoxybenzamide Traditional Name: N-[(2-methyl-5-quinolyl)thiocarbamoyl]-3-propoxy-benzamide Formula: C21H21N3O2S MolecularWeight: 379.47534

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=CC3=C2C=CC(=N3)C

Isomeric SMILES

CCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=CC3=C2C=CC(=N3)C

InChI

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