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

Systemtic Name: butyl 2-[(2S)-3-oxidanylidene-1-(thiophen-2-ylcarbonylcarbamothioyl)piperazin-2-yl]ethanoate Openeye Name: butyl 2-[(2S)-3-oxo-1-(thiophene-2-carbonylcarbamothioyl)piperazin-2-yl]acetate CAS Name: 2-[(2S)-3-oxo-1-[[[oxo(thiophen-2-yl)methyl]amino]-sulfanylidenemethyl]-2-piperazinyl]acetic acid butyl ester IUPAC Name: butyl 2-[(2S)-3-oxo-1-(thiophene-2-carbonylcarbamothioyl)piperazin-2-yl]acetate Traditional Name: 2-[(2S)-3-keto-1-(2-thenoylthiocarbamoyl)piperazin-2-yl]acetic acid butyl ester Formula: C16H21N3O4S2 MolecularWeight: 383.48564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCOC(=O)C[C@H]1C(=O)NCCN1C(=S)NC(=O)C2=CC=CS2

InChI

InChI=1S/C16H21N3O4S2/c1-2-3-8-23-13(20)10-11-14(21)17-6-7-19(11)16(24)18-15(22)12-5-4-9-25-12/h4-5,9,11H,2-3,6-8,10H2,1H3,(H,17,21)(H,18,22,24)/t11-/m0/s1