3-[1,3-bis(oxidanylidene)-4H-isoquinolin-2-yl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)propanamide

Systemtic Name: 3-[1,3-bis(oxidanylidene)-4H-isoquinolin-2-yl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)propanamide Openeye Name: 3-(1,3-dioxo-4H-isoquinolin-2-yl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)propanamide CAS Name: 3-(1,3-dioxo-4H-isoquinolin-2-yl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)propanamide IUPAC Name: 3-(1,3-dioxo-4H-isoquinolin-2-yl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)propanamide Traditional Name: 3-(1,3-diketo-4H-isoquinolin-2-yl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)propionamide Formula: C21H19N3O4S MolecularWeight: 409.45826

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)CCN3C(=O)CC4=CC=CC=C4C3=O

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)CCN3C(=O)CC4=CC=CC=C4C3=O

InChI

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