N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide

Systemtic Name: N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide Openeye Name: N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-4-oxo-3-propyl-phthalazine-1-carboxamide CAS Name: N-[2-(methylthio)-1,3-benzothiazol-6-yl]-4-oxo-3-propyl-1-phthalazinecarboxamide IUPAC Name: N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-4-oxo-3-propylphthalazine-1-carboxamide Traditional Name: 4-keto-N-[2-(methylthio)-1,3-benzothiazol-6-yl]-3-propyl-phthalazine-1-carboxamide Formula: C20H18N4O2S2 MolecularWeight: 410.51252

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC4=C(C=C3)N=C(S4)SC

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC4=C(C=C3)N=C(S4)SC

InChI

InChI=1S/C20H18N4O2S2/c1-3-10-24-19(26)14-7-5-4-6-13(14)17(23-24)18(25)21-12-8-9-15-16(11-12)28-20(22-15)27-2/h4-9,11H,3,10H2,1-2H3,(H,21,25)