S-[2-[2-cyclohexylethyl(quinolin-4-ylmethylcarbamoyl)amino]ethyl] ethanethioate

Systemtic Name: S-[2-[2-cyclohexylethyl(quinolin-4-ylmethylcarbamoyl)amino]ethyl] ethanethioate Openeye Name: S-[2-[2-cyclohexylethyl(4-quinolylmethylcarbamoyl)amino]ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[2-cyclohexylethyl-[oxo-(4-quinolinylmethylamino)methyl]amino]ethyl] ester IUPAC Name: S-[2-[2-cyclohexylethyl(quinolin-4-ylmethylcarbamoyl)amino]ethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[2-cyclohexylethyl(4-quinolylmethylcarbamoyl)amino]ethyl] ester Formula: C23H31N3O2S MolecularWeight: 413.57614

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCN(CCC1CCCCC1)C(=O)NCC2=CC=NC3=CC=CC=C23

Isomeric SMILES

CC(=O)SCCN(CCC1CCCCC1)C(=O)NCC2=CC=NC3=CC=CC=C23

InChI

InChI=1S/C23H31N3O2S/c1-18(27)29-16-15-26(14-12-19-7-3-2-4-8-19)23(28)25-17-20-11-13-24-22-10-6-5-9-21(20)22/h5-6,9-11,13,19H,2-4,7-8,12,14-17H2,1H3,(H,25,28)