4-[[(6-methylsulfonyl-1,3-benzothiazol-2-yl)amino]methylidene]-2-(phenylmethyl)isoquinoline-1,3-dione

Systemtic Name: 4-[[(6-methylsulfonyl-1,3-benzothiazol-2-yl)amino]methylidene]-2-(phenylmethyl)isoquinoline-1,3-dione Openeye Name: 2-benzyl-4-[[(6-methylsulfonyl-1,3-benzothiazol-2-yl)amino]methylene]isoquinoline-1,3-dione CAS Name: 4-[[(6-methylsulfonyl-1,3-benzothiazol-2-yl)amino]methylidene]-2-(phenylmethyl)isoquinoline-1,3-dione IUPAC Name: 2-benzyl-4-[[(6-methylsulfonyl-1,3-benzothiazol-2-yl)amino]methylidene]isoquinoline-1,3-dione Traditional Name: 2-benzyl-4-[[(6-mesyl-1,3-benzothiazol-2-yl)amino]methylene]isoquinoline-1,3-quinone Formula: C25H19N3O4S2 MolecularWeight: 489.56606

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC=C3C4=CC=CC=C4C(=O)N(C3=O)CC5=CC=CC=C5

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC=C3C4=CC=CC=C4C(=O)N(C3=O)CC5=CC=CC=C5

InChI

InChI=1S/C25H19N3O4S2/c1-34(31,32)17-11-12-21-22(13-17)33-25(27-21)26-14-20-18-9-5-6-10-19(18)23(29)28(24(20)30)15-16-7-3-2-4-8-16/h2-14H,15H2,1H3,(H,26,27)