methyl 4-[(4-pyrimidin-2-ylpiperazin-1-yl)carbothioylamino]butanoate

Systemtic Name: methyl 4-[(4-pyrimidin-2-ylpiperazin-1-yl)carbothioylamino]butanoate Openeye Name: methyl 4-[(4-pyrimidin-2-ylpiperazine-1-carbothioyl)amino]butanoate CAS Name: 4-[[[4-(2-pyrimidinyl)-1-piperazinyl]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[(4-pyrimidin-2-ylpiperazine-1-carbothioyl)amino]butanoate Traditional Name: 4-[[4-(2-pyrimidyl)piperazine-1-carbothioyl]amino]butyric acid methyl ester Formula: C14H21N5O2S MolecularWeight: 323.41384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=S)N1CCN(CC1)C2=NC=CC=N2

Isomeric SMILES

COC(=O)CCCNC(=S)N1CCN(CC1)C2=NC=CC=N2

InChI

InChI=1S/C14H21N5O2S/c1-21-12(20)4-2-5-17-14(22)19-10-8-18(9-11-19)13-15-6-3-7-16-13/h3,6-7H,2,4-5,8-11H2,1H3,(H,17,22)