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

Systemtic Name: N-(1,3-benzothiazol-2-yl)-2-(3,4-dimethylphenyl)-1-oxidanylidene-isoquinoline-4-carboxamide Openeye Name: N-(1,3-benzothiazol-2-yl)-2-(3,4-dimethylphenyl)-1-oxo-isoquinoline-4-carboxamide CAS Name: N-(1,3-benzothiazol-2-yl)-2-(3,4-dimethylphenyl)-1-oxo-4-isoquinolinecarboxamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-2-(3,4-dimethylphenyl)-1-oxoisoquinoline-4-carboxamide Traditional Name: N-(1,3-benzothiazol-2-yl)-2-(3,4-dimethylphenyl)-1-keto-isoquinoline-4-carboxamide Formula: C25H19N3O2S MolecularWeight: 425.50226

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C=C(C3=CC=CC=C3C2=O)C(=O)NC4=NC5=CC=CC=C5S4)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C=C(C3=CC=CC=C3C2=O)C(=O)NC4=NC5=CC=CC=C5S4)C

InChI

InChI=1S/C25H19N3O2S/c1-15-11-12-17(13-16(15)2)28-14-20(18-7-3-4-8-19(18)24(28)30)23(29)27-25-26-21-9-5-6-10-22(21)31-25/h3-14H,1-2H3,(H,26,27,29)