N-[(4-tert-butylphenyl)methylideneamino]-2-[1-(diphenylmethyl)azetidin-1-ium-3-yl]sulfanyl-ethanamide

Systemtic Name: N-[(4-tert-butylphenyl)methylideneamino]-2-[1-(diphenylmethyl)azetidin-1-ium-3-yl]sulfanyl-ethanamide Openeye Name: 2-(1-benzhydrylazetidin-1-ium-3-yl)sulfanyl-N-[(4-tert-butylphenyl)methyleneamino]acetamide CAS Name: N-[(4-tert-butylphenyl)methylideneamino]-2-[[1-(diphenylmethyl)-3-azetidin-1-iumyl]thio]acetamide IUPAC Name: 2-(1-benzhydrylazetidin-1-ium-3-yl)sulfanyl-N-[(4-tert-butylphenyl)methylideneamino]acetamide Traditional Name: 2-[(1-benzhydrylazetidin-1-ium-3-yl)thio]-N-[(4-tert-butylbenzylidene)amino]acetamide Formula: C29H34N3OS+ MolecularWeight: 472.66476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C=NNC(=O)CSC2C[NH+](C2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C=NNC(=O)CSC2C[NH+](C2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C29H33N3OS/c1-29(2,3)25-16-14-22(15-17-25)18-30-31-27(33)21-34-26-19-32(20-26)28(23-10-6-4-7-11-23)24-12-8-5-9-13-24/h4-18,26,28H,19-21H2,1-3H3,(H,31,33)/p+1