2-[2-(1-benzofuran-2-ylmethylamino)-1-(3-phenyl-1-sulfanyl-propyl)indol-3-yl]propanamide

Systemtic Name: 2-[2-(1-benzofuran-2-ylmethylamino)-1-(3-phenyl-1-sulfanyl-propyl)indol-3-yl]propanamide Openeye Name: 2-[2-(benzofuran-2-ylmethylamino)-1-(3-phenyl-1-sulfanyl-propyl)indol-3-yl]propanamide CAS Name: 2-[2-(2-benzofuranylmethylamino)-1-(1-mercapto-3-phenylpropyl)-3-indolyl]propanamide IUPAC Name: 2-[2-(1-benzofuran-2-ylmethylamino)-1-(3-phenyl-1-sulfanylpropyl)indol-3-yl]propanamide Traditional Name: 2-[2-(benzofuran-2-ylmethylamino)-1-(1-mercapto-3-phenyl-propyl)indol-3-yl]propionamide Formula: C29H29N3O2S MolecularWeight: 483.62446

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(N(C2=CC=CC=C21)C(CCC3=CC=CC=C3)S)NCC4=CC5=CC=CC=C5O4)C(=O)N

Isomeric SMILES

CC(C1=C(N(C2=CC=CC=C21)C(CCC3=CC=CC=C3)S)NCC4=CC5=CC=CC=C5O4)C(=O)N

InChI

InChI=1S/C29H29N3O2S/c1-19(28(30)33)27-23-12-6-7-13-24(23)32(26(35)16-15-20-9-3-2-4-10-20)29(27)31-18-22-17-21-11-5-8-14-25(21)34-22/h2-14,17,19,26,31,35H,15-16,18H2,1H3,(H2,30,33)