methyl 2-[3-oxidanylidene-1-(thiophen-2-ylcarbonylcarbamothioyl)piperazin-2-yl]ethanoate

Systemtic Name: methyl 2-[3-oxidanylidene-1-(thiophen-2-ylcarbonylcarbamothioyl)piperazin-2-yl]ethanoate Openeye Name: methyl 2-[3-oxo-1-(thiophene-2-carbonylcarbamothioyl)piperazin-2-yl]acetate CAS Name: 2-[3-oxo-1-[[[oxo(thiophen-2-yl)methyl]amino]-sulfanylidenemethyl]-2-piperazinyl]acetic acid methyl ester IUPAC Name: methyl 2-[3-oxo-1-(thiophene-2-carbonylcarbamothioyl)piperazin-2-yl]acetate Traditional Name: 2-[3-keto-1-(2-thenoylthiocarbamoyl)piperazin-2-yl]acetic acid methyl ester Formula: C13H15N3O4S2 MolecularWeight: 341.4059

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1C(=O)NCCN1C(=S)NC(=O)C2=CC=CS2

Isomeric SMILES

COC(=O)CC1C(=O)NCCN1C(=S)NC(=O)C2=CC=CS2

InChI

InChI=1S/C13H15N3O4S2/c1-20-10(17)7-8-11(18)14-4-5-16(8)13(21)15-12(19)9-3-2-6-22-9/h2-3,6,8H,4-5,7H2,1H3,(H,14,18)(H,15,19,21)