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

Systemtic Name: 4-[(1,3-benzodioxol-5-ylamino)methylidene]-2-(1,3-thiazol-2-yl)isoquinoline-1,3-dione Openeye Name: 4-[(1,3-benzodioxol-5-ylamino)methylene]-2-thiazol-2-yl-isoquinoline-1,3-dione CAS Name: 4-[(1,3-benzodioxol-5-ylamino)methylidene]-2-(2-thiazolyl)isoquinoline-1,3-dione IUPAC Name: 4-[(1,3-benzodioxol-5-ylamino)methylidene]-2-(1,3-thiazol-2-yl)isoquinoline-1,3-dione Traditional Name: 4-[(1,3-benzodioxol-5-ylamino)methylene]-2-thiazol-2-yl-isoquinoline-1,3-quinone Formula: C20H13N3O4S MolecularWeight: 391.39992

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC=C3C4=CC=CC=C4C(=O)N(C3=O)C5=NC=CS5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC=C3C4=CC=CC=C4C(=O)N(C3=O)C5=NC=CS5

InChI

InChI=1S/C20H13N3O4S/c24-18-14-4-2-1-3-13(14)15(19(25)23(18)20-21-7-8-28-20)10-22-12-5-6-16-17(9-12)27-11-26-16/h1-10,22H,11H2