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

Systemtic Name: decyl 2-[3-oxidanylidene-1-(thiophen-2-ylcarbonylcarbamothioyl)piperazin-2-yl]ethanoate Openeye Name: decyl 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 decyl ester IUPAC Name: decyl 2-[3-oxo-1-(thiophene-2-carbonylcarbamothioyl)piperazin-2-yl]acetate Traditional Name: 2-[3-keto-1-(2-thenoylthiocarbamoyl)piperazin-2-yl]acetic acid decyl ester Formula: C22H33N3O4S2 MolecularWeight: 467.64512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H33N3O4S2/c1-2-3-4-5-6-7-8-9-14-29-19(26)16-17-20(27)23-12-13-25(17)22(30)24-21(28)18-11-10-15-31-18/h10-11,15,17H,2-9,12-14,16H2,1H3,(H,23,27)(H,24,28,30)