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

Systemtic Name: N-(1,3-benzothiazol-2-ylmethyl)-3-[1,3-bis(oxidanylidene)-4H-isoquinolin-2-yl]-N-methyl-propanamide Openeye Name: N-(1,3-benzothiazol-2-ylmethyl)-3-(1,3-dioxo-4H-isoquinolin-2-yl)-N-methyl-propanamide CAS Name: N-(1,3-benzothiazol-2-ylmethyl)-3-(1,3-dioxo-4H-isoquinolin-2-yl)-N-methylpropanamide IUPAC Name: N-(1,3-benzothiazol-2-ylmethyl)-3-(1,3-dioxo-4H-isoquinolin-2-yl)-N-methylpropanamide Traditional Name: N-(1,3-benzothiazol-2-ylmethyl)-3-(1,3-diketo-4H-isoquinolin-2-yl)-N-methyl-propionamide Formula: C21H19N3O3S MolecularWeight: 393.45886

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=NC2=CC=CC=C2S1)C(=O)CCN3C(=O)CC4=CC=CC=C4C3=O

Isomeric SMILES

CN(CC1=NC2=CC=CC=C2S1)C(=O)CCN3C(=O)CC4=CC=CC=C4C3=O

InChI

InChI=1S/C21H19N3O3S/c1-23(13-18-22-16-8-4-5-9-17(16)28-18)19(25)10-11-24-20(26)12-14-6-2-3-7-15(14)21(24)27/h2-9H,10-13H2,1H3