methyl 3-[(4-pyrimidin-2-ylpiperazin-1-yl)carbothioylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[(4-pyrimidin-2-ylpiperazin-1-yl)carbothioylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[(4-pyrimidin-2-ylpiperazine-1-carbothioyl)amino]thiophene-2-carboxylate CAS Name: 3-[[[4-(2-pyrimidinyl)-1-piperazinyl]-sulfanylidenemethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[(4-pyrimidin-2-ylpiperazine-1-carbothioyl)amino]thiophene-2-carboxylate Traditional Name: 3-[[4-(2-pyrimidyl)piperazine-1-carbothioyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C15H17N5O2S2 MolecularWeight: 363.45778

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)NC(=S)N2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

COC(=O)C1=C(C=CS1)NC(=S)N2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C15H17N5O2S2/c1-22-13(21)12-11(3-10-24-12)18-15(23)20-8-6-19(7-9-20)14-16-4-2-5-17-14/h2-5,10H,6-9H2,1H3,(H,18,23)