N-[(2R)-1-(1H-indol-3-yl)-4-sulfanyl-butan-2-yl]-2-(4-phenylmethoxyphenyl)ethanamide

Systemtic Name: N-[(2R)-1-(1H-indol-3-yl)-4-sulfanyl-butan-2-yl]-2-(4-phenylmethoxyphenyl)ethanamide Openeye Name: 2-(4-benzyloxyphenyl)-N-[(1R)-1-(1H-indol-3-ylmethyl)-3-sulfanyl-propyl]acetamide CAS Name: N-[(2R)-1-(1H-indol-3-yl)-4-mercaptobutan-2-yl]-2-(4-phenylmethoxyphenyl)acetamide IUPAC Name: N-[(2R)-1-(1H-indol-3-yl)-4-sulfanylbutan-2-yl]-2-(4-phenylmethoxyphenyl)acetamide Traditional Name: 2-(4-benzoxyphenyl)-N-[(1R)-1-(1H-indol-3-ylmethyl)-3-mercapto-propyl]acetamide Formula: C27H28N2O2S MolecularWeight: 444.58842

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)CC(=O)NC(CCS)CC3=CNC4=CC=CC=C43

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)CC(=O)N[C@@H](CCS)CC3=CNC4=CC=CC=C43

InChI

InChI=1S/C27H28N2O2S/c30-27(16-20-10-12-24(13-11-20)31-19-21-6-2-1-3-7-21)29-23(14-15-32)17-22-18-28-26-9-5-4-8-25(22)26/h1-13,18,23,28,32H,14-17,19H2,(H,29,30)/t23-/m0/s1