N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[1-[(4-nitrophenyl)methyl]indol-3-yl]sulfanyl-ethanamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[1-[(4-nitrophenyl)methyl]indol-3-yl]sulfanyl-ethanamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[1-[(4-nitrophenyl)methyl]indol-3-yl]sulfanyl-acetamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[1-[(4-nitrophenyl)methyl]-3-indolyl]thio]acetamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[1-[(4-nitrophenyl)methyl]indol-3-yl]sulfanylacetamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[1-(4-nitrobenzyl)indol-3-yl]thio]acetamide Formula: C25H21N3O5S MolecularWeight: 475.51634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)NC(=O)CSC3=CN(C4=CC=CC=C43)CC5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)NC(=O)CSC3=CN(C4=CC=CC=C43)CC5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C25H21N3O5S/c29-25(26-18-7-10-22-23(13-18)33-12-11-32-22)16-34-24-15-27(21-4-2-1-3-20(21)24)14-17-5-8-19(9-6-17)28(30)31/h1-10,13,15H,11-12,14,16H2,(H,26,29)