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

Systemtic Name: 2-[1,4-bis(oxidanylidene)-3H-phthalazin-2-yl]-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)ethanamide Openeye Name: 2-(1,4-dioxo-3H-phthalazin-2-yl)-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)acetamide CAS Name: 2-(1,4-dioxo-3H-phthalazin-2-yl)-N-[2-(methylthio)-1,3-benzothiazol-6-yl]acetamide IUPAC Name: 2-(1,4-dioxo-3H-phthalazin-2-yl)-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)acetamide Traditional Name: 2-(1,4-diketo-3H-phthalazin-2-yl)-N-[2-(methylthio)-1,3-benzothiazol-6-yl]acetamide Formula: C18H14N4O3S2 MolecularWeight: 398.45876

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(S1)C=C(C=C2)NC(=O)CN3C(=O)C4=CC=CC=C4C(=O)N3

Isomeric SMILES

CSC1=NC2=C(S1)C=C(C=C2)NC(=O)CN3C(=O)C4=CC=CC=C4C(=O)N3

InChI

InChI=1S/C18H14N4O3S2/c1-26-18-20-13-7-6-10(8-14(13)27-18)19-15(23)9-22-17(25)12-5-3-2-4-11(12)16(24)21-22/h2-8H,9H2,1H3,(H,19,23)(H,21,24)