[4-[(4-bromanylisoquinolin-1-yl)amino]-2-chloranyl-phenyl]-(2-methylphenyl)methanethione

Systemtic Name: [4-[(4-bromanylisoquinolin-1-yl)amino]-2-chloranyl-phenyl]-(2-methylphenyl)methanethione Openeye Name: [4-[(4-bromo-1-isoquinolyl)amino]-2-chloro-phenyl]-(o-tolyl)methanethione CAS Name: [4-[(4-bromo-1-isoquinolinyl)amino]-2-chlorophenyl]-(2-methylphenyl)methanethione IUPAC Name: [4-[(4-bromoisoquinolin-1-yl)amino]-2-chlorophenyl]-(2-methylphenyl)methanethione Traditional Name: [4-[(4-bromo-1-isoquinolyl)amino]-2-chloro-phenyl]-(o-tolyl)methanethione Formula: C23H16BrClN2S MolecularWeight: 467.80854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=S)C2=C(C=C(C=C2)NC3=NC=C(C4=CC=CC=C43)Br)Cl

Isomeric SMILES

CC1=CC=CC=C1C(=S)C2=C(C=C(C=C2)NC3=NC=C(C4=CC=CC=C43)Br)Cl

InChI

InChI=1S/C23H16BrClN2S/c1-14-6-2-3-7-16(14)22(28)19-11-10-15(12-21(19)25)27-23-18-9-5-4-8-17(18)20(24)13-26-23/h2-13H,1H3,(H,26,27)