butan-2-yl 2-[3-oxidanylidene-1-(pentanoylcarbamothioyl)piperazin-2-yl]ethanoate

Systemtic Name: butan-2-yl 2-[3-oxidanylidene-1-(pentanoylcarbamothioyl)piperazin-2-yl]ethanoate Openeye Name: sec-butyl 2-[3-oxo-1-(pentanoylcarbamothioyl)piperazin-2-yl]acetate CAS Name: 2-[3-oxo-1-[(1-oxopentylamino)-sulfanylidenemethyl]-2-piperazinyl]acetic acid butan-2-yl ester IUPAC Name: butan-2-yl 2-[3-oxo-1-(pentanoylcarbamothioyl)piperazin-2-yl]acetate Traditional Name: 2-[3-keto-1-(valerylthiocarbamoyl)piperazin-2-yl]acetic acid sec-butyl ester Formula: C16H27N3O4S MolecularWeight: 357.46828

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC(=S)N1CCNC(=O)C1CC(=O)OC(C)CC

Isomeric SMILES

CCCCC(=O)NC(=S)N1CCNC(=O)C1CC(=O)OC(C)CC

InChI

InChI=1S/C16H27N3O4S/c1-4-6-7-13(20)18-16(24)19-9-8-17-15(22)12(19)10-14(21)23-11(3)5-2/h11-12H,4-10H2,1-3H3,(H,17,22)(H,18,20,24)