3,3-bis[(4-tert-butylphenyl)methylsulfanyl]-2-cyano-N-(phenylmethyl)prop-2-enamide

Systemtic Name: 3,3-bis[(4-tert-butylphenyl)methylsulfanyl]-2-cyano-N-(phenylmethyl)prop-2-enamide Openeye Name: N-benzyl-3,3-bis[(4-tert-butylphenyl)methylsulfanyl]-2-cyano-prop-2-enamide CAS Name: 3,3-bis[(4-tert-butylphenyl)methylthio]-2-cyano-N-(phenylmethyl)-2-propenamide IUPAC Name: N-benzyl-3,3-bis[(4-tert-butylphenyl)methylsulfanyl]-2-cyanoprop-2-enamide Traditional Name: N-benzyl-3,3-bis[(4-tert-butylbenzyl)thio]-2-cyano-acrylamide Formula: C33H38N2OS2 MolecularWeight: 542.79762

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CSC(=C(C#N)C(=O)NCC2=CC=CC=C2)SCC3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CSC(=C(C#N)C(=O)NCC2=CC=CC=C2)SCC3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C33H38N2OS2/c1-32(2,3)27-16-12-25(13-17-27)22-37-31(38-23-26-14-18-28(19-15-26)33(4,5)6)29(20-34)30(36)35-21-24-10-8-7-9-11-24/h7-19H,21-23H2,1-6H3,(H,35,36)