2-(1-benzofuran-2-ylmethylamino)-N-[1-ethyl-2-(phenylmethyl)-4-sulfanyl-indol-3-yl]propanamide

Systemtic Name: 2-(1-benzofuran-2-ylmethylamino)-N-[1-ethyl-2-(phenylmethyl)-4-sulfanyl-indol-3-yl]propanamide Openeye Name: 2-(benzofuran-2-ylmethylamino)-N-(2-benzyl-1-ethyl-4-sulfanyl-indol-3-yl)propanamide CAS Name: 2-(2-benzofuranylmethylamino)-N-[1-ethyl-4-mercapto-2-(phenylmethyl)-3-indolyl]propanamide IUPAC Name: 2-(1-benzofuran-2-ylmethylamino)-N-(2-benzyl-1-ethyl-4-sulfanylindol-3-yl)propanamide Traditional Name: 2-(benzofuran-2-ylmethylamino)-N-(2-benzyl-1-ethyl-4-mercapto-indol-3-yl)propionamide Formula: C29H29N3O2S MolecularWeight: 483.62446

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=CC=C2)S)C(=C1CC3=CC=CC=C3)NC(=O)C(C)NCC4=CC5=CC=CC=C5O4

Isomeric SMILES

CCN1C2=C(C(=CC=C2)S)C(=C1CC3=CC=CC=C3)NC(=O)C(C)NCC4=CC5=CC=CC=C5O4

InChI

InChI=1S/C29H29N3O2S/c1-3-32-23-13-9-15-26(35)27(23)28(24(32)16-20-10-5-4-6-11-20)31-29(33)19(2)30-18-22-17-21-12-7-8-14-25(21)34-22/h4-15,17,19,30,35H,3,16,18H2,1-2H3,(H,31,33)