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

Systemtic Name: 3-iodanyl-N-[(2-methylquinolin-5-yl)carbamothioyl]benzamide Openeye Name: 3-iodo-N-[(2-methyl-5-quinolyl)carbamothioyl]benzamide CAS Name: 3-iodo-N-[[(2-methyl-5-quinolinyl)amino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-iodo-N-[(2-methylquinolin-5-yl)carbamothioyl]benzamide Traditional Name: 3-iodo-N-[(2-methyl-5-quinolyl)thiocarbamoyl]benzamide Formula: C18H14IN3OS MolecularWeight: 447.29273

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C1)C(=CC=C2)NC(=S)NC(=O)C3=CC(=CC=C3)I

Isomeric SMILES

CC1=NC2=C(C=C1)C(=CC=C2)NC(=S)NC(=O)C3=CC(=CC=C3)I

InChI

InChI=1S/C18H14IN3OS/c1-11-8-9-14-15(20-11)6-3-7-16(14)21-18(24)22-17(23)12-4-2-5-13(19)10-12/h2-10H,1H3,(H2,21,22,23,24)