[2-chloranyl-4-[(3-ethoxyisoquinolin-4-yl)amino]phenyl]-(2-methylphenyl)methanethione

Systemtic Name: [2-chloranyl-4-[(3-ethoxyisoquinolin-4-yl)amino]phenyl]-(2-methylphenyl)methanethione Openeye Name: [2-chloro-4-[(3-ethoxy-4-isoquinolyl)amino]phenyl]-(o-tolyl)methanethione CAS Name: [2-chloro-4-[(3-ethoxy-4-isoquinolinyl)amino]phenyl]-(2-methylphenyl)methanethione IUPAC Name: [2-chloro-4-[(3-ethoxyisoquinolin-4-yl)amino]phenyl]-(2-methylphenyl)methanethione Traditional Name: [2-chloro-4-[(3-ethoxy-4-isoquinolyl)amino]phenyl]-(o-tolyl)methanethione Formula: C25H21ClN2OS MolecularWeight: 432.96504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C2=CC=CC=C2C=N1)NC3=CC(=C(C=C3)C(=S)C4=CC=CC=C4C)Cl

Isomeric SMILES

CCOC1=C(C2=CC=CC=C2C=N1)NC3=CC(=C(C=C3)C(=S)C4=CC=CC=C4C)Cl

InChI

InChI=1S/C25H21ClN2OS/c1-3-29-25-23(20-11-7-5-9-17(20)15-27-25)28-18-12-13-21(22(26)14-18)24(30)19-10-6-4-8-16(19)2/h4-15,28H,3H2,1-2H3