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

Systemtic Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)benzamide Openeye Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)benzamide CAS Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[2-(methylthio)-1,3-benzothiazol-6-yl]benzamide IUPAC Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)benzamide Traditional Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[2-(methylthio)-1,3-benzothiazol-6-yl]benzamide Formula: C24H21N3O3S3 MolecularWeight: 495.63684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H21N3O3S3/c1-31-24-26-21-10-9-19(14-22(21)32-24)25-23(28)17-7-4-8-20(13-17)33(29,30)27-12-11-16-5-2-3-6-18(16)15-27/h2-10,13-14H,11-12,15H2,1H3,(H,25,28)