2-(3,4-dimethylphenyl)-N-(4-methyl-1,3-benzothiazol-2-yl)-1-oxidanylidene-isoquinoline-4-carboxamide

Systemtic Name: 2-(3,4-dimethylphenyl)-N-(4-methyl-1,3-benzothiazol-2-yl)-1-oxidanylidene-isoquinoline-4-carboxamide Openeye Name: 2-(3,4-dimethylphenyl)-N-(4-methyl-1,3-benzothiazol-2-yl)-1-oxo-isoquinoline-4-carboxamide CAS Name: 2-(3,4-dimethylphenyl)-N-(4-methyl-1,3-benzothiazol-2-yl)-1-oxo-4-isoquinolinecarboxamide IUPAC Name: 2-(3,4-dimethylphenyl)-N-(4-methyl-1,3-benzothiazol-2-yl)-1-oxoisoquinoline-4-carboxamide Traditional Name: 2-(3,4-dimethylphenyl)-1-keto-N-(4-methyl-1,3-benzothiazol-2-yl)isoquinoline-4-carboxamide Formula: C26H21N3O2S MolecularWeight: 439.52884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)NC(=O)C3=CN(C(=O)C4=CC=CC=C43)C5=CC(=C(C=C5)C)C

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)NC(=O)C3=CN(C(=O)C4=CC=CC=C43)C5=CC(=C(C=C5)C)C

InChI

InChI=1S/C26H21N3O2S/c1-15-11-12-18(13-17(15)3)29-14-21(19-8-4-5-9-20(19)25(29)31)24(30)28-26-27-23-16(2)7-6-10-22(23)32-26/h4-14H,1-3H3,(H,27,28,30)