S-[2-[2-cyclohexylethyl(3-pyrrol-1-ylpropylcarbamoyl)amino]ethyl] ethanethioate

Systemtic Name: S-[2-[2-cyclohexylethyl(3-pyrrol-1-ylpropylcarbamoyl)amino]ethyl] ethanethioate Openeye Name: S-[2-[2-cyclohexylethyl(3-pyrrol-1-ylpropylcarbamoyl)amino]ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[2-cyclohexylethyl-[oxo-[3-(1-pyrrolyl)propylamino]methyl]amino]ethyl] ester IUPAC Name: S-[2-[2-cyclohexylethyl(3-pyrrol-1-ylpropylcarbamoyl)amino]ethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[2-cyclohexylethyl(3-pyrrol-1-ylpropylcarbamoyl)amino]ethyl] ester Formula: C20H33N3O2S MolecularWeight: 379.55992

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCN(CCC1CCCCC1)C(=O)NCCCN2C=CC=C2

Isomeric SMILES

CC(=O)SCCN(CCC1CCCCC1)C(=O)NCCCN2C=CC=C2

InChI

InChI=1S/C20H33N3O2S/c1-18(24)26-17-16-23(15-10-19-8-3-2-4-9-19)20(25)21-11-7-14-22-12-5-6-13-22/h5-6,12-13,19H,2-4,7-11,14-17H2,1H3,(H,21,25)