N-[4,5-bis(4-tert-butylphenyl)-1,3-thiazol-2-yl]-2-(1-phenethylbenzimidazol-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[4,5-bis(4-tert-butylphenyl)-1,3-thiazol-2-yl]-2-(1-phenethylbenzimidazol-2-yl)sulfanyl-ethanamide Openeye Name: N-[4,5-bis(4-tert-butylphenyl)thiazol-2-yl]-2-(1-phenethylbenzimidazol-2-yl)sulfanyl-acetamide CAS Name: N-[4,5-bis(4-tert-butylphenyl)-2-thiazolyl]-2-[(1-phenethyl-2-benzimidazolyl)thio]acetamide IUPAC Name: N-[4,5-bis(4-tert-butylphenyl)-1,3-thiazol-2-yl]-2-(1-phenethylbenzimidazol-2-yl)sulfanylacetamide Traditional Name: N-[4,5-bis(4-tert-butylphenyl)thiazol-2-yl]-2-[(1-phenethylbenzimidazol-2-yl)thio]acetamide Formula: C40H42N4OS2 MolecularWeight: 658.91768

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=C(SC(=N2)NC(=O)CSC3=NC4=CC=CC=C4N3CCC5=CC=CC=C5)C6=CC=C(C=C6)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=C(SC(=N2)NC(=O)CSC3=NC4=CC=CC=C4N3CCC5=CC=CC=C5)C6=CC=C(C=C6)C(C)(C)C

InChI

InChI=1S/C40H42N4OS2/c1-39(2,3)30-20-16-28(17-21-30)35-36(29-18-22-31(23-19-29)40(4,5)6)47-37(43-35)42-34(45)26-46-38-41-32-14-10-11-15-33(32)44(38)25-24-27-12-8-7-9-13-27/h7-23H,24-26H2,1-6H3,(H,42,43,45)