ethyl 4-[2-[1-[(2,5-dimethylphenyl)methyl]indol-3-yl]sulfanylethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[1-[(2,5-dimethylphenyl)methyl]indol-3-yl]sulfanylethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[1-[(2,5-dimethylphenyl)methyl]indol-3-yl]sulfanylacetyl]piperazine-1-carboxylate CAS Name: 4-[2-[[1-[(2,5-dimethylphenyl)methyl]-3-indolyl]thio]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[1-[(2,5-dimethylphenyl)methyl]indol-3-yl]sulfanylacetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[[1-(2,5-dimethylbenzyl)indol-3-yl]thio]acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C26H31N3O3S MolecularWeight: 465.60764

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H31N3O3S/c1-4-32-26(31)28-13-11-27(12-14-28)25(30)18-33-24-17-29(23-8-6-5-7-22(23)24)16-21-15-19(2)9-10-20(21)3/h5-10,15,17H,4,11-14,16,18H2,1-3H3