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

Systemtic Name: N-(1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)-1-oxidanylidene-isoquinoline-4-carboxamide Openeye Name: N-(1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)-1-oxo-isoquinoline-4-carboxamide CAS Name: N-(1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)-1-oxo-4-isoquinolinecarboxamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)-1-oxoisoquinoline-4-carboxamide Traditional Name: N-(1,3-benzothiazol-2-yl)-1-keto-2-(4-methoxyphenyl)isoquinoline-4-carboxamide Formula: C24H17N3O3S MolecularWeight: 427.47508

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C=C(C3=CC=CC=C3C2=O)C(=O)NC4=NC5=CC=CC=C5S4

Isomeric SMILES

COC1=CC=C(C=C1)N2C=C(C3=CC=CC=C3C2=O)C(=O)NC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C24H17N3O3S/c1-30-16-12-10-15(11-13-16)27-14-19(17-6-2-3-7-18(17)23(27)29)22(28)26-24-25-20-8-4-5-9-21(20)31-24/h2-14H,1H3,(H,25,26,28)