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

Systemtic Name: 4-[(4,5-dihydro-1,3-thiazol-2-ylamino)methylidene]-2-(4-ethoxyphenyl)isoquinoline-1,3-dione Openeye Name: 4-[(4,5-dihydrothiazol-2-ylamino)methylene]-2-(4-ethoxyphenyl)isoquinoline-1,3-dione CAS Name: 4-[(4,5-dihydrothiazol-2-ylamino)methylidene]-2-(4-ethoxyphenyl)isoquinoline-1,3-dione IUPAC Name: 4-[(4,5-dihydro-1,3-thiazol-2-ylamino)methylidene]-2-(4-ethoxyphenyl)isoquinoline-1,3-dione Traditional Name: 2-p-phenetyl-4-[(2-thiazolin-2-ylamino)methylene]isoquinoline-1,3-quinone Formula: C21H19N3O3S MolecularWeight: 393.45886

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=CNC4=NCCS4)C2=O

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=CNC4=NCCS4)C2=O

InChI

InChI=1S/C21H19N3O3S/c1-2-27-15-9-7-14(8-10-15)24-19(25)17-6-4-3-5-16(17)18(20(24)26)13-23-21-22-11-12-28-21/h3-10,13H,2,11-12H2,1H3,(H,22,23)