S-[2-[2-cyclohexylethyl-[2-(1H-indol-3-yl)ethylcarbamoyl]amino]ethyl] ethanethioate

Systemtic Name: S-[2-[2-cyclohexylethyl-[2-(1H-indol-3-yl)ethylcarbamoyl]amino]ethyl] ethanethioate Openeye Name: S-[2-[2-cyclohexylethyl-[2-(1H-indol-3-yl)ethylcarbamoyl]amino]ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[2-cyclohexylethyl-[[2-(1H-indol-3-yl)ethylamino]-oxomethyl]amino]ethyl] ester IUPAC Name: S-[2-[2-cyclohexylethyl-[2-(1H-indol-3-yl)ethylcarbamoyl]amino]ethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[2-cyclohexylethyl-[2-(1H-indol-3-yl)ethylcarbamoyl]amino]ethyl] ester Formula: C23H33N3O2S MolecularWeight: 415.59202

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCN(CCC1CCCCC1)C(=O)NCCC2=CNC3=CC=CC=C32

Isomeric SMILES

CC(=O)SCCN(CCC1CCCCC1)C(=O)NCCC2=CNC3=CC=CC=C32

InChI

InChI=1S/C23H33N3O2S/c1-18(27)29-16-15-26(14-12-19-7-3-2-4-8-19)23(28)24-13-11-20-17-25-22-10-6-5-9-21(20)22/h5-6,9-10,17,19,25H,2-4,7-8,11-16H2,1H3,(H,24,28)