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

Systemtic Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-butyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-butyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-3-butyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-3-butyl-4-oxophthalazine-1-carboxamide Traditional Name: N-[1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-3-butyl-4-keto-phthalazine-1-carboxamide Formula: C24H27N5O2S MolecularWeight: 449.56848

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC(CCSC)C3=NC4=CC=CC=C4N3

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC(CCSC)C3=NC4=CC=CC=C4N3

InChI

InChI=1S/C24H27N5O2S/c1-3-4-14-29-24(31)17-10-6-5-9-16(17)21(28-29)23(30)27-20(13-15-32-2)22-25-18-11-7-8-12-19(18)26-22/h5-12,20H,3-4,13-15H2,1-2H3,(H,25,26)(H,27,30)