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

Systemtic Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-2-butyl-1,3-bis(oxidanylidene)isoindole-5-carboxamide Openeye Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-2-butyl-1,3-dioxo-isoindoline-5-carboxamide CAS Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-2-butyl-1,3-dioxo-5-isoindolecarboxamide IUPAC Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-butyl-1,3-dioxoisoindole-5-carboxamide Traditional Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-2-butyl-1,3-diketo-isoindoline-5-carboxamide Formula: C24H26N4O3S MolecularWeight: 450.55324

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC(CCSC)C3=NC4=CC=CC=C4N3

Isomeric SMILES

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)N[C@@H](CCSC)C3=NC4=CC=CC=C4N3

InChI

InChI=1S/C24H26N4O3S/c1-3-4-12-28-23(30)16-10-9-15(14-17(16)24(28)31)22(29)27-20(11-13-32-2)21-25-18-7-5-6-8-19(18)26-21/h5-10,14,20H,3-4,11-13H2,1-2H3,(H,25,26)(H,27,29)/t20-/m0/s1