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

Systemtic Name: pentyl 2-[3-oxidanylidene-1-(thiophen-2-ylcarbonylcarbamothioyl)piperazin-2-yl]ethanoate Openeye Name: pentyl 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 pentyl ester IUPAC Name: pentyl 2-[3-oxo-1-(thiophene-2-carbonylcarbamothioyl)piperazin-2-yl]acetate Traditional Name: 2-[3-keto-1-(2-thenoylthiocarbamoyl)piperazin-2-yl]acetic acid amyl ester Formula: C17H23N3O4S2 MolecularWeight: 397.51222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N3O4S2/c1-2-3-4-9-24-14(21)11-12-15(22)18-7-8-20(12)17(25)19-16(23)13-6-5-10-26-13/h5-6,10,12H,2-4,7-9,11H2,1H3,(H,18,22)(H,19,23,25)