4-chloranyl-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)benzamide

Systemtic Name: 4-chloranyl-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)benzamide Openeye Name: 4-chloro-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)benzamide CAS Name: 4-chloro-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[2-(methylthio)-1,3-benzothiazol-6-yl]benzamide IUPAC Name: 4-chloro-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)benzamide Traditional Name: 4-chloro-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[2-(methylthio)-1,3-benzothiazol-6-yl]benzamide Formula: C24H20ClN3O3S3 MolecularWeight: 530.0819

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N4CCC5=CC=CC=C5C4

Isomeric SMILES

CSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C24H20ClN3O3S3/c1-32-24-27-20-9-7-18(13-21(20)33-24)26-23(29)16-6-8-19(25)22(12-16)34(30,31)28-11-10-15-4-2-3-5-17(15)14-28/h2-9,12-13H,10-11,14H2,1H3,(H,26,29)