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

Systemtic Name: N-[(2-methylquinolin-5-yl)carbamothioyl]-4-propan-2-yl-benzamide Openeye Name: 4-isopropyl-N-[(2-methyl-5-quinolyl)carbamothioyl]benzamide CAS Name: N-[[(2-methyl-5-quinolinyl)amino]-sulfanylidenemethyl]-4-propan-2-ylbenzamide IUPAC Name: N-[(2-methylquinolin-5-yl)carbamothioyl]-4-propan-2-ylbenzamide Traditional Name: 4-isopropyl-N-[(2-methyl-5-quinolyl)thiocarbamoyl]benzamide Formula: C21H21N3OS MolecularWeight: 363.47594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3OS/c1-13(2)15-8-10-16(11-9-15)20(25)24-21(26)23-19-6-4-5-18-17(19)12-7-14(3)22-18/h4-13H,1-3H3,(H2,23,24,25,26)