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

Systemtic Name: ethyl 4-[2-[1-(phenylmethyl)indol-3-yl]sulfanylethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-(1-benzylindol-3-yl)sulfanylacetyl]piperazine-1-carboxylate CAS Name: 4-[1-oxo-2-[[1-(phenylmethyl)-3-indolyl]thio]ethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(1-benzylindol-3-yl)sulfanylacetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[(1-benzylindol-3-yl)thio]acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C24H27N3O3S MolecularWeight: 437.55448

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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

Isomeric SMILES

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

InChI

InChI=1S/C24H27N3O3S/c1-2-30-24(29)26-14-12-25(13-15-26)23(28)18-31-22-17-27(16-19-8-4-3-5-9-19)21-11-7-6-10-20(21)22/h3-11,17H,2,12-16,18H2,1H3