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

Systemtic Name: 3-[1,3-bis(oxidanylidene)-4H-isoquinolin-2-yl]-N-(6-chloranyl-1,3-benzothiazol-2-yl)propanamide Openeye Name: N-(6-chloro-1,3-benzothiazol-2-yl)-3-(1,3-dioxo-4H-isoquinolin-2-yl)propanamide CAS Name: N-(6-chloro-1,3-benzothiazol-2-yl)-3-(1,3-dioxo-4H-isoquinolin-2-yl)propanamide IUPAC Name: N-(6-chloro-1,3-benzothiazol-2-yl)-3-(1,3-dioxo-4H-isoquinolin-2-yl)propanamide Traditional Name: N-(6-chloro-1,3-benzothiazol-2-yl)-3-(1,3-diketo-4H-isoquinolin-2-yl)propionamide Formula: C19H14ClN3O3S MolecularWeight: 399.85076

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(=O)N(C1=O)CCC(=O)NC3=NC4=C(S3)C=C(C=C4)Cl

Isomeric SMILES

C1C2=CC=CC=C2C(=O)N(C1=O)CCC(=O)NC3=NC4=C(S3)C=C(C=C4)Cl

InChI

InChI=1S/C19H14ClN3O3S/c20-12-5-6-14-15(10-12)27-19(21-14)22-16(24)7-8-23-17(25)9-11-3-1-2-4-13(11)18(23)26/h1-6,10H,7-9H2,(H,21,22,24)