S-[2-[[2-cyclohexylethyl(pyridin-4-ylmethyl)carbamoyl]amino]ethyl] ethanethioate

Systemtic Name: S-[2-[[2-cyclohexylethyl(pyridin-4-ylmethyl)carbamoyl]amino]ethyl] ethanethioate Openeye Name: S-[2-[[2-cyclohexylethyl(4-pyridylmethyl)carbamoyl]amino]ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[[[2-cyclohexylethyl(pyridin-4-ylmethyl)amino]-oxomethyl]amino]ethyl] ester IUPAC Name: S-[2-[[2-cyclohexylethyl(pyridin-4-ylmethyl)carbamoyl]amino]ethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[[2-cyclohexylethyl(4-pyridylmethyl)carbamoyl]amino]ethyl] ester Formula: C19H29N3O2S MolecularWeight: 363.51746

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCNC(=O)N(CCC1CCCCC1)CC2=CC=NC=C2

Isomeric SMILES

CC(=O)SCCNC(=O)N(CCC1CCCCC1)CC2=CC=NC=C2

InChI

InChI=1S/C19H29N3O2S/c1-16(23)25-14-12-21-19(24)22(15-18-7-10-20-11-8-18)13-9-17-5-3-2-4-6-17/h7-8,10-11,17H,2-6,9,12-15H2,1H3,(H,21,24)