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

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

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC2=C1N=C(S2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCC5=CC=CC=C5C4

Isomeric SMILES

CSC1=CC=CC2=C1N=C(S2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCC5=CC=CC=C5C4

InChI

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