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

Systemtic Name: ethyl 4-[2-[1-[(2-methylphenyl)methyl]indol-3-yl]sulfanylethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[1-(o-tolylmethyl)indol-3-yl]sulfanylacetyl]piperazine-1-carboxylate CAS Name: 4-[2-[[1-[(2-methylphenyl)methyl]-3-indolyl]thio]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[1-[(2-methylphenyl)methyl]indol-3-yl]sulfanylacetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[[1-(2-methylbenzyl)indol-3-yl]thio]acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C25H29N3O3S MolecularWeight: 451.58106

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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=C4C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CSC2=CN(C3=CC=CC=C32)CC4=CC=CC=C4C

InChI

InChI=1S/C25H29N3O3S/c1-3-31-25(30)27-14-12-26(13-15-27)24(29)18-32-23-17-28(22-11-7-6-10-21(22)23)16-20-9-5-4-8-19(20)2/h4-11,17H,3,12-16,18H2,1-2H3