2-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1-oxidanylidene-3-phenyl-3,4-dihydroisoquinoline-4-carboxamide

Systemtic Name: 2-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1-oxidanylidene-3-phenyl-3,4-dihydroisoquinoline-4-carboxamide Openeye Name: 2-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1-oxo-3-phenyl-3,4-dihydroisoquinoline-4-carboxamide CAS Name: 2-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1-oxo-3-phenyl-3,4-dihydroisoquinoline-4-carboxamide IUPAC Name: 2-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1-oxo-3-phenyl-3,4-dihydroisoquinoline-4-carboxamide Traditional Name: 1-keto-N-(6-mesyl-1,3-benzothiazol-2-yl)-2-methyl-3-phenyl-3,4-dihydroisoquinoline-4-carboxamide Formula: C25H21N3O4S2 MolecularWeight: 491.58194

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(C(C2=CC=CC=C2C1=O)C(=O)NC3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C)C5=CC=CC=C5

Isomeric SMILES

CN1C(C(C2=CC=CC=C2C1=O)C(=O)NC3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C)C5=CC=CC=C5

InChI

InChI=1S/C25H21N3O4S2/c1-28-22(15-8-4-3-5-9-15)21(17-10-6-7-11-18(17)24(28)30)23(29)27-25-26-19-13-12-16(34(2,31)32)14-20(19)33-25/h3-14,21-22H,1-2H3,(H,26,27,29)