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

Systemtic Name: 3-[1,4-bis(oxidanylidene)-3H-phthalazin-2-yl]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)propanamide Openeye Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide CAS Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide IUPAC Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide Traditional Name: 3-(1,4-diketo-3H-phthalazin-2-yl)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)propionamide Formula: C20H18N4O3S MolecularWeight: 394.44692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=N2)NC(=O)CCN3C(=O)C4=CC=CC=C4C(=O)N3)C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)NC(=O)CCN3C(=O)C4=CC=CC=C4C(=O)N3)C

InChI

InChI=1S/C20H18N4O3S/c1-11-9-12(2)17-15(10-11)28-20(22-17)21-16(25)7-8-24-19(27)14-6-4-3-5-13(14)18(26)23-24/h3-6,9-10H,7-8H2,1-2H3,(H,23,26)(H,21,22,25)