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

Systemtic Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-2-methyl-1,3-bis(oxidanylidene)isoindole-5-carboxamide Openeye Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-2-methyl-1,3-dioxo-isoindoline-5-carboxamide CAS Name: N-[1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-2-methyl-1,3-dioxo-5-isoindolecarboxamide IUPAC Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide Traditional Name: N-[1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-1,3-diketo-2-methyl-isoindoline-5-carboxamide Formula: C21H20N4O3S MolecularWeight: 408.4735

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC(CCSC)C3=NC4=CC=CC=C4N3

Isomeric SMILES

CN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC(CCSC)C3=NC4=CC=CC=C4N3

InChI

InChI=1S/C21H20N4O3S/c1-25-20(27)13-8-7-12(11-14(13)21(25)28)19(26)24-17(9-10-29-2)18-22-15-5-3-4-6-16(15)23-18/h3-8,11,17H,9-10H2,1-2H3,(H,22,23)(H,24,26)