N-[(2R,3R)-4-[(3-iodanylphenyl)methylamino]-1-naphthalen-2-ylsulfanyl-3-oxidanyl-butan-2-yl]-3-methyl-benzamide

Systemtic Name: N-[(2R,3R)-4-[(3-iodanylphenyl)methylamino]-1-naphthalen-2-ylsulfanyl-3-oxidanyl-butan-2-yl]-3-methyl-benzamide Openeye Name: N-[(1R,2R)-2-hydroxy-3-[(3-iodophenyl)methylamino]-1-(2-naphthylsulfanylmethyl)propyl]-3-methyl-benzamide CAS Name: N-[(2R,3R)-3-hydroxy-4-[(3-iodophenyl)methylamino]-1-(2-naphthalenylthio)butan-2-yl]-3-methylbenzamide IUPAC Name: N-[(2R,3R)-3-hydroxy-4-[(3-iodophenyl)methylamino]-1-naphthalen-2-ylsulfanylbutan-2-yl]-3-methylbenzamide Traditional Name: N-[(1R,2R)-2-hydroxy-3-[(3-iodobenzyl)amino]-1-[(2-naphthylthio)methyl]propyl]-3-methyl-benzamide Formula: C29H29IN2O2S MolecularWeight: 596.52223

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC(CSC2=CC3=CC=CC=C3C=C2)C(CNCC4=CC(=CC=C4)I)O

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N[C@@H](CSC2=CC3=CC=CC=C3C=C2)[C@@H](CNCC4=CC(=CC=C4)I)O

InChI

InChI=1S/C29H29IN2O2S/c1-20-6-4-10-24(14-20)29(34)32-27(28(33)18-31-17-21-7-5-11-25(30)15-21)19-35-26-13-12-22-8-2-3-9-23(22)16-26/h2-16,27-28,31,33H,17-19H2,1H3,(H,32,34)/t27-,28+/m0/s1