N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-[1,4-bis(oxidanylidene)-3H-phthalazin-2-yl]propanamide

Systemtic Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-[1,4-bis(oxidanylidene)-3H-phthalazin-2-yl]propanamide Openeye Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide CAS Name: N-[1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide IUPAC Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide Traditional Name: N-[1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-3-(1,4-diketo-3H-phthalazin-2-yl)propionamide Formula: C22H23N5O3S MolecularWeight: 437.51472

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C1=NC2=CC=CC=C2N1)NC(=O)CCN3C(=O)C4=CC=CC=C4C(=O)N3

Isomeric SMILES

CSCCC(C1=NC2=CC=CC=C2N1)NC(=O)CCN3C(=O)C4=CC=CC=C4C(=O)N3

InChI

InChI=1S/C22H23N5O3S/c1-31-13-11-18(20-24-16-8-4-5-9-17(16)25-20)23-19(28)10-12-27-22(30)15-7-3-2-6-14(15)21(29)26-27/h2-9,18H,10-13H2,1H3,(H,23,28)(H,24,25)(H,26,29)