2-[3-(1H-benzimidazol-2-ylsulfanyl)phenyl]-N-[2,6-di(propan-2-yl)phenyl]-2-piperazin-1-yl-ethanamide

Systemtic Name: 2-[3-(1H-benzimidazol-2-ylsulfanyl)phenyl]-N-[2,6-di(propan-2-yl)phenyl]-2-piperazin-1-yl-ethanamide Openeye Name: 2-[3-(1H-benzimidazol-2-ylsulfanyl)phenyl]-N-(2,6-diisopropylphenyl)-2-piperazin-1-yl-acetamide CAS Name: 2-[3-(1H-benzimidazol-2-ylthio)phenyl]-N-[2,6-di(propan-2-yl)phenyl]-2-(1-piperazinyl)acetamide IUPAC Name: 2-[3-(1H-benzimidazol-2-ylsulfanyl)phenyl]-N-[2,6-di(propan-2-yl)phenyl]-2-piperazin-1-ylacetamide Traditional Name: 2-[3-(1H-benzimidazol-2-ylthio)phenyl]-N-(2,6-diisopropylphenyl)-2-piperazino-acetamide Formula: C31H37N5OS MolecularWeight: 527.72338

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)C(C2=CC(=CC=C2)SC3=NC4=CC=CC=C4N3)N5CCNCC5

Isomeric SMILES

CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)C(C2=CC(=CC=C2)SC3=NC4=CC=CC=C4N3)N5CCNCC5

InChI

InChI=1S/C31H37N5OS/c1-20(2)24-11-8-12-25(21(3)4)28(24)35-30(37)29(36-17-15-32-16-18-36)22-9-7-10-23(19-22)38-31-33-26-13-5-6-14-27(26)34-31/h5-14,19-21,29,32H,15-18H2,1-4H3,(H,33,34)(H,35,37)