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

Systemtic Name: S-[2-[2-cyclohexylethyl-[iodanyl(pyridin-4-ylmethyl)carbamoyl]amino]ethyl] ethanethioate Openeye Name: S-[2-[2-cyclohexylethyl-[iodo(4-pyridylmethyl)carbamoyl]amino]ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[2-cyclohexylethyl-[[iodo(pyridin-4-ylmethyl)amino]-oxomethyl]amino]ethyl] ester IUPAC Name: S-[2-[2-cyclohexylethyl-[iodo(pyridin-4-ylmethyl)carbamoyl]amino]ethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[2-cyclohexylethyl-[iodo(4-pyridylmethyl)carbamoyl]amino]ethyl] ester Formula: C19H28IN3O2S MolecularWeight: 489.41399

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCN(CCC1CCCCC1)C(=O)N(CC2=CC=NC=C2)I

Isomeric SMILES

CC(=O)SCCN(CCC1CCCCC1)C(=O)N(CC2=CC=NC=C2)I

InChI

InChI=1S/C19H28IN3O2S/c1-16(24)26-14-13-22(12-9-17-5-3-2-4-6-17)19(25)23(20)15-18-7-10-21-11-8-18/h7-8,10-11,17H,2-6,9,12-15H2,1H3