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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1-[(3-fluorophenyl)methyl]indol-3-yl]sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1-[(3-fluorophenyl)methyl]indol-3-yl]sulfanyl-acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[1-[(3-fluorophenyl)methyl]-3-indolyl]thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1-[(3-fluorophenyl)methyl]indol-3-yl]sulfanylacetamide Traditional Name: 2-[[1-(3-fluorobenzyl)indol-3-yl]thio]-N-piperonyl-acetamide Formula: C25H21FN2O3S MolecularWeight: 448.509243

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)CSC3=CN(C4=CC=CC=C43)CC5=CC(=CC=C5)F

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)CSC3=CN(C4=CC=CC=C43)CC5=CC(=CC=C5)F

InChI

InChI=1S/C25H21FN2O3S/c26-19-5-3-4-18(10-19)13-28-14-24(20-6-1-2-7-21(20)28)32-15-25(29)27-12-17-8-9-22-23(11-17)31-16-30-22/h1-11,14H,12-13,15-16H2,(H,27,29)