N-[(2-methylquinolin-8-yl)carbamothioyl]-4-phenylmethoxy-benzamide

Systemtic Name: N-[(2-methylquinolin-8-yl)carbamothioyl]-4-phenylmethoxy-benzamide Openeye Name: 4-benzyloxy-N-[(2-methyl-8-quinolyl)carbamothioyl]benzamide CAS Name: N-[[(2-methyl-8-quinolinyl)amino]-sulfanylidenemethyl]-4-phenylmethoxybenzamide IUPAC Name: N-[(2-methylquinolin-8-yl)carbamothioyl]-4-phenylmethoxybenzamide Traditional Name: 4-benzoxy-N-[(2-methyl-8-quinolyl)thiocarbamoyl]benzamide Formula: C25H21N3O2S MolecularWeight: 427.51814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC=C2NC(=S)NC(=O)C3=CC=C(C=C3)OCC4=CC=CC=C4)C=C1

Isomeric SMILES

CC1=NC2=C(C=CC=C2NC(=S)NC(=O)C3=CC=C(C=C3)OCC4=CC=CC=C4)C=C1

InChI

InChI=1S/C25H21N3O2S/c1-17-10-11-19-8-5-9-22(23(19)26-17)27-25(31)28-24(29)20-12-14-21(15-13-20)30-16-18-6-3-2-4-7-18/h2-15H,16H2,1H3,(H2,27,28,29,31)