2-[2-(1-benzofuran-2-ylmethylamino)-1-(2-oxidanyl-4-phenyl-3-sulfanyl-butan-2-yl)indol-3-yl]propanamide

Systemtic Name: 2-[2-(1-benzofuran-2-ylmethylamino)-1-(2-oxidanyl-4-phenyl-3-sulfanyl-butan-2-yl)indol-3-yl]propanamide Openeye Name: 2-[2-(benzofuran-2-ylmethylamino)-1-(1-hydroxy-1-methyl-3-phenyl-2-sulfanyl-propyl)indol-3-yl]propanamide CAS Name: 2-[2-(2-benzofuranylmethylamino)-1-(2-hydroxy-3-mercapto-4-phenylbutan-2-yl)-3-indolyl]propanamide IUPAC Name: 2-[2-(1-benzofuran-2-ylmethylamino)-1-(2-hydroxy-4-phenyl-3-sulfanylbutan-2-yl)indol-3-yl]propanamide Traditional Name: 2-[2-(benzofuran-2-ylmethylamino)-1-(1-hydroxy-2-mercapto-1-methyl-3-phenyl-propyl)indol-3-yl]propionamide Formula: C30H31N3O3S MolecularWeight: 513.65044

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(N(C2=CC=CC=C21)C(C)(C(CC3=CC=CC=C3)S)O)NCC4=CC5=CC=CC=C5O4)C(=O)N

Isomeric SMILES

CC(C1=C(N(C2=CC=CC=C21)C(C)(C(CC3=CC=CC=C3)S)O)NCC4=CC5=CC=CC=C5O4)C(=O)N

InChI

InChI=1S/C30H31N3O3S/c1-19(28(31)34)27-23-13-7-8-14-24(23)33(30(2,35)26(37)16-20-10-4-3-5-11-20)29(27)32-18-22-17-21-12-6-9-15-25(21)36-22/h3-15,17,19,26,32,35,37H,16,18H2,1-2H3,(H2,31,34)