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

Systemtic Name: N-[3-(4-tert-butylphenyl)carbonylphenyl]-3-(phenylmethylsulfanyl)propanamide Openeye Name: 3-benzylsulfanyl-N-[3-(4-tert-butylbenzoyl)phenyl]propanamide CAS Name: N-[3-[(4-tert-butylphenyl)-oxomethyl]phenyl]-3-(phenylmethylthio)propanamide IUPAC Name: 3-benzylsulfanyl-N-[3-(4-tert-butylbenzoyl)phenyl]propanamide Traditional Name: 3-(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)(C)C1=CC=C(C=C1)C(=O)C2=CC(=CC=C2)NC(=O)CCSCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)C2=CC(=CC=C2)NC(=O)CCSCC3=CC=CC=C3

InChI

InChI=1S/C27H29NO2S/c1-27(2,3)23-14-12-21(13-15-23)26(30)22-10-7-11-24(18-22)28-25(29)16-17-31-19-20-8-5-4-6-9-20/h4-15,18H,16-17,19H2,1-3H3,(H,28,29)