ethyl 1-[[2-(4-bromophenyl)-5-methyl-1H-indol-3-yl]sulfanylcarbothioyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[[2-(4-bromophenyl)-5-methyl-1H-indol-3-yl]sulfanylcarbothioyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[[2-(4-bromophenyl)-5-methyl-1H-indol-3-yl]sulfanylcarbothioyl]piperidine-4-carboxylate CAS Name: 1-[[[2-(4-bromophenyl)-5-methyl-1H-indol-3-yl]thio]-sulfanylidenemethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[2-(4-bromophenyl)-5-methyl-1H-indol-3-yl]sulfanylcarbothioyl]piperidine-4-carboxylate Traditional Name: 1-[[2-(4-bromophenyl)-5-methyl-1H-indol-3-yl]thio]carbothioylisonipecotic acid ethyl ester Formula: C24H25BrN2O2S2 MolecularWeight: 517.5015

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=S)SC2=C(NC3=C2C=C(C=C3)C)C4=CC=C(C=C4)Br

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=S)SC2=C(NC3=C2C=C(C=C3)C)C4=CC=C(C=C4)Br

InChI

InChI=1S/C24H25BrN2O2S2/c1-3-29-23(28)17-10-12-27(13-11-17)24(30)31-22-19-14-15(2)4-9-20(19)26-21(22)16-5-7-18(25)8-6-16/h4-9,14,17,26H,3,10-13H2,1-2H3