N-[(E)-(4-tert-butylphenyl)methylideneamino]-2-[1-(phenylmethyl)benzimidazol-2-yl]sulfanyl-ethanamide

Systemtic Name: N-[(E)-(4-tert-butylphenyl)methylideneamino]-2-[1-(phenylmethyl)benzimidazol-2-yl]sulfanyl-ethanamide Openeye Name: 2-(1-benzylbenzimidazol-2-yl)sulfanyl-N-[(E)-(4-tert-butylphenyl)methyleneamino]acetamide CAS Name: N-[(E)-(4-tert-butylphenyl)methylideneamino]-2-[[1-(phenylmethyl)-2-benzimidazolyl]thio]acetamide IUPAC Name: 2-(1-benzylbenzimidazol-2-yl)sulfanyl-N-[(E)-(4-tert-butylphenyl)methylideneamino]acetamide Traditional Name: 2-[(1-benzylbenzimidazol-2-yl)thio]-N-[(E)-(4-tert-butylbenzylidene)amino]acetamide Formula: C27H28N4OS MolecularWeight: 456.60242

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C=NNC(=O)CSC2=NC3=CC=CC=C3N2CC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)/C=N/NC(=O)CSC2=NC3=CC=CC=C3N2CC4=CC=CC=C4

InChI

InChI=1S/C27H28N4OS/c1-27(2,3)22-15-13-20(14-16-22)17-28-30-25(32)19-33-26-29-23-11-7-8-12-24(23)31(26)18-21-9-5-4-6-10-21/h4-17H,18-19H2,1-3H3,(H,30,32)/b28-17+