4-[(4,5-dihydro-1,3-thiazol-2-ylamino)methylidene]-2-(3,4-dimethoxyphenyl)isoquinoline-1,3-dione

Systemtic Name: 4-[(4,5-dihydro-1,3-thiazol-2-ylamino)methylidene]-2-(3,4-dimethoxyphenyl)isoquinoline-1,3-dione Openeye Name: 4-[(4,5-dihydrothiazol-2-ylamino)methylene]-2-(3,4-dimethoxyphenyl)isoquinoline-1,3-dione CAS Name: 4-[(4,5-dihydrothiazol-2-ylamino)methylidene]-2-(3,4-dimethoxyphenyl)isoquinoline-1,3-dione IUPAC Name: 4-[(4,5-dihydro-1,3-thiazol-2-ylamino)methylidene]-2-(3,4-dimethoxyphenyl)isoquinoline-1,3-dione Traditional Name: 2-(3,4-dimethoxyphenyl)-4-[(2-thiazolin-2-ylamino)methylene]isoquinoline-1,3-quinone Formula: C21H19N3O4S MolecularWeight: 409.45826

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3C(=CNC4=NCCS4)C2=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3C(=CNC4=NCCS4)C2=O)OC

InChI

InChI=1S/C21H19N3O4S/c1-27-17-8-7-13(11-18(17)28-2)24-19(25)15-6-4-3-5-14(15)16(20(24)26)12-23-21-22-9-10-29-21/h3-8,11-12H,9-10H2,1-2H3,(H,22,23)