N-[2-[1-methyl-2-(phenylmethyl)-5-[(E)-3-phenylprop-2-enyl]sulfanyl-pyrrolo[2,3-b]pyridin-3-yl]ethyl]ethanamide

Systemtic Name: N-[2-[1-methyl-2-(phenylmethyl)-5-[(E)-3-phenylprop-2-enyl]sulfanyl-pyrrolo[2,3-b]pyridin-3-yl]ethyl]ethanamide Openeye Name: N-[2-[2-benzyl-5-[(E)-cinnamyl]sulfanyl-1-methyl-pyrrolo[2,3-b]pyridin-3-yl]ethyl]acetamide CAS Name: N-[2-[1-methyl-2-(phenylmethyl)-5-[[(E)-3-phenylprop-2-enyl]thio]-3-pyrrolo[2,3-b]pyridinyl]ethyl]acetamide IUPAC Name: N-[2-[2-benzyl-1-methyl-5-[(E)-3-phenylprop-2-enyl]sulfanylpyrrolo[2,3-b]pyridin-3-yl]ethyl]acetamide Traditional Name: N-[2-[2-benzyl-5-[[(E)-cinnamyl]thio]-1-methyl-pyrrolo[2,3-b]pyridin-3-yl]ethyl]acetamide Formula: C28H29N3OS MolecularWeight: 455.61436

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCC1=C(N(C2=NC=C(C=C12)SCC=CC3=CC=CC=C3)C)CC4=CC=CC=C4

Isomeric SMILES

CC(=O)NCCC1=C(N(C2=NC=C(C=C12)SC/C=C/C3=CC=CC=C3)C)CC4=CC=CC=C4

InChI

InChI=1S/C28H29N3OS/c1-21(32)29-16-15-25-26-19-24(33-17-9-14-22-10-5-3-6-11-22)20-30-28(26)31(2)27(25)18-23-12-7-4-8-13-23/h3-14,19-20H,15-18H2,1-2H3,(H,29,32)/b14-9+