S-(2-azanyl-2-oxidanylidene-1-pyridin-2-yl-ethyl) N-butylcarbamothioate

Systemtic Name: S-(2-azanyl-2-oxidanylidene-1-pyridin-2-yl-ethyl) N-butylcarbamothioate Openeye Name: S-[2-amino-2-oxo-1-(2-pyridyl)ethyl] N-butylcarbamothioate CAS Name: N-butylcarbamothioic acid S-[2-amino-2-oxo-1-(2-pyridinyl)ethyl] ester IUPAC Name: S-(2-amino-2-oxo-1-pyridin-2-ylethyl) N-butylcarbamothioate Traditional Name: N-butylthiocarbamic acid S-[2-amino-2-keto-1-(2-pyridyl)ethyl] ester Formula: C12H17N3O2S MolecularWeight: 267.34728

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)SC(C1=CC=CC=N1)C(=O)N

Isomeric SMILES

CCCCNC(=O)SC(C1=CC=CC=N1)C(=O)N

InChI

InChI=1S/C12H17N3O2S/c1-2-3-7-15-12(17)18-10(11(13)16)9-6-4-5-8-14-9/h4-6,8,10H,2-3,7H2,1H3,(H2,13,16)(H,15,17)