N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(2-methylphenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxamide

Systemtic Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(2-methylphenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxamide Openeye Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(o-tolyl)-1,3-dioxo-isoindoline-5-carboxamide CAS Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(2-methylphenyl)-1,3-dioxo-5-isoindolecarboxamide IUPAC Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide Traditional Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1,3-diketo-2-(o-tolyl)isoindoline-5-carboxamide Formula: C25H19N3O3S MolecularWeight: 441.50166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NC4=NC5=C(C=C(C=C5S4)C)C

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NC4=NC5=C(C=C(C=C5S4)C)C

InChI

InChI=1S/C25H19N3O3S/c1-13-10-15(3)21-20(11-13)32-25(26-21)27-22(29)16-8-9-17-18(12-16)24(31)28(23(17)30)19-7-5-4-6-14(19)2/h4-12H,1-3H3,(H,26,27,29)