4-tert-butyl-N-[(2S,3S)-4-naphthalen-2-ylsulfanyl-1,3-bis(oxidanyl)butan-2-yl]benzamide

Systemtic Name: 4-tert-butyl-N-[(2S,3S)-4-naphthalen-2-ylsulfanyl-1,3-bis(oxidanyl)butan-2-yl]benzamide Openeye Name: 4-tert-butyl-N-[(1S,2S)-2-hydroxy-1-(hydroxymethyl)-3-(2-naphthylsulfanyl)propyl]benzamide CAS Name: 4-tert-butyl-N-[(2S,3S)-1,3-dihydroxy-4-(2-naphthalenylthio)butan-2-yl]benzamide IUPAC Name: 4-tert-butyl-N-[(2S,3S)-1,3-dihydroxy-4-naphthalen-2-ylsulfanylbutan-2-yl]benzamide Traditional Name: 4-tert-butyl-N-[(1S,2S)-2-hydroxy-1-methylol-3-(2-naphthylthio)propyl]benzamide Formula: C25H29NO3S MolecularWeight: 423.56766

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC(CO)C(CSC2=CC3=CC=CC=C3C=C2)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)N[C@@H](CO)[C@@H](CSC2=CC3=CC=CC=C3C=C2)O

InChI

InChI=1S/C25H29NO3S/c1-25(2,3)20-11-8-18(9-12-20)24(29)26-22(15-27)23(28)16-30-21-13-10-17-6-4-5-7-19(17)14-21/h4-14,22-23,27-28H,15-16H2,1-3H3,(H,26,29)/t22-,23+/m0/s1