S-[(E)-3-aminocarbonyl-1-[4-(piperidin-1-ylmethyl)pyridin-2-yl]oxy-hept-5-enyl] ethanethioate

Systemtic Name: S-[(E)-3-aminocarbonyl-1-[4-(piperidin-1-ylmethyl)pyridin-2-yl]oxy-hept-5-enyl] ethanethioate Openeye Name: S-[(E)-3-carbamoyl-1-[[4-(1-piperidylmethyl)-2-pyridyl]oxy]hept-5-enyl] ethanethioate CAS Name: ethanethioic acid S-[(E)-3-carbamoyl-1-[[4-(1-piperidinylmethyl)-2-pyridinyl]oxy]hept-5-enyl] ester IUPAC Name: S-[(E)-3-carbamoyl-1-[4-(piperidin-1-ylmethyl)pyridin-2-yl]oxyhept-5-enyl] ethanethioate Traditional Name: ethanethioic acid S-[(E)-3-carbamoyl-1-[[4-(piperidinomethyl)-2-pyridyl]oxy]hept-5-enyl] ester Formula: C21H31N3O3S MolecularWeight: 405.55414

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Descriptors Computed from Structure

Canonical SMILES:

CC=CCC(CC(OC1=NC=CC(=C1)CN2CCCCC2)SC(=O)C)C(=O)N

Isomeric SMILES

C/C=C/CC(CC(OC1=NC=CC(=C1)CN2CCCCC2)SC(=O)C)C(=O)N

InChI

InChI=1S/C21H31N3O3S/c1-3-4-8-18(21(22)26)14-20(28-16(2)25)27-19-13-17(9-10-23-19)15-24-11-6-5-7-12-24/h3-4,9-10,13,18,20H,5-8,11-12,14-15H2,1-2H3,(H2,22,26)/b4-3+