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

Systemtic Name: 3-[1,4-bis(oxidanylidene)-3H-phthalazin-2-yl]-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide Openeye Name: 3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide CAS Name: 3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide IUPAC Name: 3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide Traditional Name: 3-(1,4-diketo-3H-phthalazin-2-yl)-N-(2-methyl-1,3-benzothiazol-6-yl)propionamide Formula: C19H16N4O3S MolecularWeight: 380.42034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C=C(C=C2)NC(=O)CCN3C(=O)C4=CC=CC=C4C(=O)N3

Isomeric SMILES

CC1=NC2=C(S1)C=C(C=C2)NC(=O)CCN3C(=O)C4=CC=CC=C4C(=O)N3

InChI

InChI=1S/C19H16N4O3S/c1-11-20-15-7-6-12(10-16(15)27-11)21-17(24)8-9-23-19(26)14-5-3-2-4-13(14)18(25)22-23/h2-7,10H,8-9H2,1H3,(H,21,24)(H,22,25)