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

Systemtic Name: N-[3-(4-tert-butylphenyl)carbonylphenyl]-3-phenylsulfanyl-propanamide Openeye Name: N-[3-(4-tert-butylbenzoyl)phenyl]-3-phenylsulfanyl-propanamide CAS Name: N-[3-[(4-tert-butylphenyl)-oxomethyl]phenyl]-3-(phenylthio)propanamide IUPAC Name: N-[3-(4-tert-butylbenzoyl)phenyl]-3-phenylsulfanylpropanamide Traditional Name: N-[3-(4-tert-butylbenzoyl)phenyl]-3-(phenylthio)propionamide Formula: C26H27NO2S MolecularWeight: 417.56308

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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)CCSC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)C2=CC(=CC=C2)NC(=O)CCSC3=CC=CC=C3

InChI

InChI=1S/C26H27NO2S/c1-26(2,3)21-14-12-19(13-15-21)25(29)20-8-7-9-22(18-20)27-24(28)16-17-30-23-10-5-4-6-11-23/h4-15,18H,16-17H2,1-3H3,(H,27,28)