N-(1,3-benzodioxol-5-yl)-2-[1-[(4-nitrophenyl)methyl]indol-3-yl]sulfanyl-ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[1-[(4-nitrophenyl)methyl]indol-3-yl]sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[1-[(4-nitrophenyl)methyl]indol-3-yl]sulfanyl-acetamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[[1-[(4-nitrophenyl)methyl]-3-indolyl]thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[1-[(4-nitrophenyl)methyl]indol-3-yl]sulfanylacetamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[[1-(4-nitrobenzyl)indol-3-yl]thio]acetamide Formula: C24H19N3O5S MolecularWeight: 461.48976

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=CN(C4=CC=CC=C43)CC5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=CN(C4=CC=CC=C43)CC5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C24H19N3O5S/c28-24(25-17-7-10-21-22(11-17)32-15-31-21)14-33-23-13-26(20-4-2-1-3-19(20)23)12-16-5-8-18(9-6-16)27(29)30/h1-11,13H,12,14-15H2,(H,25,28)