[2-chloranyl-4-(isoquinolin-4-ylamino)phenyl]-(2,4,5-trimethylphenyl)methanethione

Systemtic Name: [2-chloranyl-4-(isoquinolin-4-ylamino)phenyl]-(2,4,5-trimethylphenyl)methanethione Openeye Name: [2-chloro-4-(4-isoquinolylamino)phenyl]-(2,4,5-trimethylphenyl)methanethione CAS Name: [2-chloro-4-(4-isoquinolinylamino)phenyl]-(2,4,5-trimethylphenyl)methanethione IUPAC Name: [2-chloro-4-(isoquinolin-4-ylamino)phenyl]-(2,4,5-trimethylphenyl)methanethione Traditional Name: [2-chloro-4-(4-isoquinolylamino)phenyl]-(2,4,5-trimethylphenyl)methanethione Formula: C25H21ClN2S MolecularWeight: 416.96564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=S)C2=C(C=C(C=C2)NC3=CN=CC4=CC=CC=C43)Cl)C)C

Isomeric SMILES

CC1=CC(=C(C=C1C(=S)C2=C(C=C(C=C2)NC3=CN=CC4=CC=CC=C43)Cl)C)C

InChI

InChI=1S/C25H21ClN2S/c1-15-10-17(3)22(11-16(15)2)25(29)21-9-8-19(12-23(21)26)28-24-14-27-13-18-6-4-5-7-20(18)24/h4-14,28H,1-3H3