S-[2-[2-cyclohexylethyl-[[1-oxidanylidene-1-(pyridin-4-ylmethylamino)propan-2-yl]carbamoyl]amino]ethyl] ethanethioate

Systemtic Name: S-[2-[2-cyclohexylethyl-[[1-oxidanylidene-1-(pyridin-4-ylmethylamino)propan-2-yl]carbamoyl]amino]ethyl] ethanethioate Openeye Name: S-[2-[2-cyclohexylethyl-[[1-methyl-2-oxo-2-(4-pyridylmethylamino)ethyl]carbamoyl]amino]ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[2-cyclohexylethyl-[oxo-[[1-oxo-1-(pyridin-4-ylmethylamino)propan-2-yl]amino]methyl]amino]ethyl] ester IUPAC Name: S-[2-[2-cyclohexylethyl-[[1-oxo-1-(pyridin-4-ylmethylamino)propan-2-yl]carbamoyl]amino]ethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[2-cyclohexylethyl-[[2-keto-1-methyl-2-(4-pyridylmethylamino)ethyl]carbamoyl]amino]ethyl] ester Formula: C22H34N4O3S MolecularWeight: 434.59536

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=NC=C1)NC(=O)N(CCC2CCCCC2)CCSC(=O)C

Isomeric SMILES

CC(C(=O)NCC1=CC=NC=C1)NC(=O)N(CCC2CCCCC2)CCSC(=O)C

InChI

InChI=1S/C22H34N4O3S/c1-17(21(28)24-16-20-8-11-23-12-9-20)25-22(29)26(14-15-30-18(2)27)13-10-19-6-4-3-5-7-19/h8-9,11-12,17,19H,3-7,10,13-16H2,1-2H3,(H,24,28)(H,25,29)