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

Systemtic Name: 2-(4-methoxyphenyl)-N-(4-methyl-1,3-benzothiazol-2-yl)-1-oxidanylidene-isoquinoline-4-carboxamide Openeye Name: 2-(4-methoxyphenyl)-N-(4-methyl-1,3-benzothiazol-2-yl)-1-oxo-isoquinoline-4-carboxamide CAS Name: 2-(4-methoxyphenyl)-N-(4-methyl-1,3-benzothiazol-2-yl)-1-oxo-4-isoquinolinecarboxamide IUPAC Name: 2-(4-methoxyphenyl)-N-(4-methyl-1,3-benzothiazol-2-yl)-1-oxoisoquinoline-4-carboxamide Traditional Name: 1-keto-2-(4-methoxyphenyl)-N-(4-methyl-1,3-benzothiazol-2-yl)isoquinoline-4-carboxamide Formula: C25H19N3O3S MolecularWeight: 441.50166

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C25H19N3O3S/c1-15-6-5-9-21-22(15)26-25(32-21)27-23(29)20-14-28(16-10-12-17(31-2)13-11-16)24(30)19-8-4-3-7-18(19)20/h3-14H,1-2H3,(H,26,27,29)