ethyl 4-(furan-2-yl)-2-[(4-pyridin-2-ylpiperazin-1-yl)carbothioylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-(furan-2-yl)-2-[(4-pyridin-2-ylpiperazin-1-yl)carbothioylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-(2-furyl)-2-[[4-(2-pyridyl)piperazine-1-carbothioyl]amino]thiophene-3-carboxylate CAS Name: 4-(2-furanyl)-2-[[[4-(2-pyridinyl)-1-piperazinyl]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(furan-2-yl)-2-[(4-pyridin-2-ylpiperazine-1-carbothioyl)amino]thiophene-3-carboxylate Traditional Name: 4-(2-furyl)-2-[[4-(2-pyridyl)piperazine-1-carbothioyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C21H22N4O3S2 MolecularWeight: 442.55438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CO2)NC(=S)N3CCN(CC3)C4=CC=CC=N4

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CO2)NC(=S)N3CCN(CC3)C4=CC=CC=N4

InChI

InChI=1S/C21H22N4O3S2/c1-2-27-20(26)18-15(16-6-5-13-28-16)14-30-19(18)23-21(29)25-11-9-24(10-12-25)17-7-3-4-8-22-17/h3-8,13-14H,2,9-12H2,1H3,(H,23,29)