ethyl 3-[[4-(furan-2-ylcarbonyl)piperazin-1-yl]carbothioylamino]benzoate

Systemtic Name: ethyl 3-[[4-(furan-2-ylcarbonyl)piperazin-1-yl]carbothioylamino]benzoate Openeye Name: ethyl 3-[[4-(furan-2-carbonyl)piperazine-1-carbothioyl]amino]benzoate CAS Name: 3-[[[4-[2-furanyl(oxo)methyl]-1-piperazinyl]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[4-(furan-2-carbonyl)piperazine-1-carbothioyl]amino]benzoate Traditional Name: 3-[[4-(2-furoyl)piperazine-1-carbothioyl]amino]benzoic acid ethyl ester Formula: C19H21N3O4S MolecularWeight: 387.45274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=S)N2CCN(CC2)C(=O)C3=CC=CO3

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=S)N2CCN(CC2)C(=O)C3=CC=CO3

InChI

InChI=1S/C19H21N3O4S/c1-2-25-18(24)14-5-3-6-15(13-14)20-19(27)22-10-8-21(9-11-22)17(23)16-7-4-12-26-16/h3-7,12-13H,2,8-11H2,1H3,(H,20,27)