N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-2-(3-methylbutyl)-1,3-bis(oxidanylidene)isoindole-5-carboxamide

Systemtic Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-2-(3-methylbutyl)-1,3-bis(oxidanylidene)isoindole-5-carboxamide Openeye Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-2-isopentyl-1,3-dioxo-isoindoline-5-carboxamide CAS Name: N-[1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-2-(3-methylbutyl)-1,3-dioxo-5-isoindolecarboxamide IUPAC Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-(3-methylbutyl)-1,3-dioxoisoindole-5-carboxamide Traditional Name: N-[1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-2-isoamyl-1,3-diketo-isoindoline-5-carboxamide Formula: C25H28N4O3S MolecularWeight: 464.57982

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC(CCSC)C3=NC4=CC=CC=C4N3

Isomeric SMILES

CC(C)CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC(CCSC)C3=NC4=CC=CC=C4N3

InChI

InChI=1S/C25H28N4O3S/c1-15(2)10-12-29-24(31)17-9-8-16(14-18(17)25(29)32)23(30)28-21(11-13-33-3)22-26-19-6-4-5-7-20(19)27-22/h4-9,14-15,21H,10-13H2,1-3H3,(H,26,27)(H,28,30)