ethyl 4-[2-[1-[(3-fluorophenyl)methyl]indol-3-yl]sulfanylethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[1-[(3-fluorophenyl)methyl]indol-3-yl]sulfanylethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[1-[(3-fluorophenyl)methyl]indol-3-yl]sulfanylacetyl]piperazine-1-carboxylate CAS Name: 4-[2-[[1-[(3-fluorophenyl)methyl]-3-indolyl]thio]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[1-[(3-fluorophenyl)methyl]indol-3-yl]sulfanylacetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[[1-(3-fluorobenzyl)indol-3-yl]thio]acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C24H26FN3O3S MolecularWeight: 455.544943

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CSC2=CN(C3=CC=CC=C32)CC4=CC(=CC=C4)F

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CSC2=CN(C3=CC=CC=C32)CC4=CC(=CC=C4)F

InChI

InChI=1S/C24H26FN3O3S/c1-2-31-24(30)27-12-10-26(11-13-27)23(29)17-32-22-16-28(21-9-4-3-8-20(21)22)15-18-6-5-7-19(25)14-18/h3-9,14,16H,2,10-13,15,17H2,1H3