N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-methyl-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-methyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-methyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-3-methyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-3-methyl-4-oxophthalazine-1-carboxamide Traditional Name: N-[1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-4-keto-3-methyl-phthalazine-1-carboxamide Formula: C21H21N5O2S MolecularWeight: 407.48874

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC(CCSC)C3=NC4=CC=CC=C4N3

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC(CCSC)C3=NC4=CC=CC=C4N3

InChI

InChI=1S/C21H21N5O2S/c1-26-21(28)14-8-4-3-7-13(14)18(25-26)20(27)24-17(11-12-29-2)19-22-15-9-5-6-10-16(15)23-19/h3-10,17H,11-12H2,1-2H3,(H,22,23)(H,24,27)