N-[3-(4-tert-butylphenyl)carbonylphenyl]-2-(phenylmethylsulfanyl)propanamide

Systemtic Name: N-[3-(4-tert-butylphenyl)carbonylphenyl]-2-(phenylmethylsulfanyl)propanamide Openeye Name: 2-benzylsulfanyl-N-[3-(4-tert-butylbenzoyl)phenyl]propanamide CAS Name: N-[3-[(4-tert-butylphenyl)-oxomethyl]phenyl]-2-(phenylmethylthio)propanamide IUPAC Name: 2-benzylsulfanyl-N-[3-(4-tert-butylbenzoyl)phenyl]propanamide Traditional Name: 2-(benzylthio)-N-[3-(4-tert-butylbenzoyl)phenyl]propionamide Formula: C27H29NO2S MolecularWeight: 431.58966

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)C(=O)C2=CC=C(C=C2)C(C)(C)C)SCC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)NC1=CC=CC(=C1)C(=O)C2=CC=C(C=C2)C(C)(C)C)SCC3=CC=CC=C3

InChI

InChI=1S/C27H29NO2S/c1-19(31-18-20-9-6-5-7-10-20)26(30)28-24-12-8-11-22(17-24)25(29)21-13-15-23(16-14-21)27(2,3)4/h5-17,19H,18H2,1-4H3,(H,28,30)