2-(1-adamantyl)-N-[2-[[4-(1H-benzimidazol-2-ylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl]ethanamide

Systemtic Name: 2-(1-adamantyl)-N-[2-[[4-(1H-benzimidazol-2-ylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[2-[4-(1H-benzimidazol-2-ylsulfanyl)anilino]-2-oxo-ethyl]acetamide CAS Name: 2-(1-adamantyl)-N-[2-[4-(1H-benzimidazol-2-ylthio)anilino]-2-oxoethyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[2-[4-(1H-benzimidazol-2-ylsulfanyl)anilino]-2-oxoethyl]acetamide Traditional Name: 2-(1-adamantyl)-N-[2-[4-(1H-benzimidazol-2-ylthio)anilino]-2-keto-ethyl]acetamide Formula: C27H30N4O2S MolecularWeight: 474.6177

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CC(=O)NCC(=O)NC4=CC=C(C=C4)SC5=NC6=CC=CC=C6N5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CC(=O)NCC(=O)NC4=CC=C(C=C4)SC5=NC6=CC=CC=C6N5

InChI

InChI=1S/C27H30N4O2S/c32-24(15-27-12-17-9-18(13-27)11-19(10-17)14-27)28-16-25(33)29-20-5-7-21(8-6-20)34-26-30-22-3-1-2-4-23(22)31-26/h1-8,17-19H,9-16H2,(H,28,32)(H,29,33)(H,30,31)