[2-chloranyl-4-(isoquinolin-4-ylamino)sulfanyl-phenyl]-(2,5-dimethylphenyl)methanone

Systemtic Name: [2-chloranyl-4-(isoquinolin-4-ylamino)sulfanyl-phenyl]-(2,5-dimethylphenyl)methanone Openeye Name: [2-chloro-4-(4-isoquinolylamino)sulfanyl-phenyl]-(2,5-dimethylphenyl)methanone CAS Name: 3-chloro-4-[(2,5-dimethylphenyl)-oxomethyl]-N-(4-isoquinolinyl)benzenesulfenamide IUPAC Name: [2-chloro-4-(isoquinolin-4-ylamino)sulfanylphenyl]-(2,5-dimethylphenyl)methanone Traditional Name: [2-chloro-4-[(4-isoquinolylamino)thio]phenyl]-(2,5-dimethylphenyl)methanone Formula: C24H19ClN2OS MolecularWeight: 418.93846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)C2=C(C=C(C=C2)SNC3=CN=CC4=CC=CC=C43)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)C2=C(C=C(C=C2)SNC3=CN=CC4=CC=CC=C43)Cl

InChI

InChI=1S/C24H19ClN2OS/c1-15-7-8-16(2)21(11-15)24(28)20-10-9-18(12-22(20)25)29-27-23-14-26-13-17-5-3-4-6-19(17)23/h3-14,27H,1-2H3