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

Systemtic Name: butan-2-yl 2-[1-(3-methylbutanoylcarbamothioyl)-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: sec-butyl 2-[1-(3-methylbutanoylcarbamothioyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[[(3-methyl-1-oxobutyl)amino]-sulfanylidenemethyl]-3-oxo-2-piperazinyl]acetic acid butan-2-yl ester IUPAC Name: butan-2-yl 2-[1-(3-methylbutanoylcarbamothioyl)-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-(isovalerylthiocarbamoyl)-3-keto-piperazin-2-yl]acetic acid sec-butyl ester Formula: C16H27N3O4S MolecularWeight: 357.46828

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC(=O)CC1C(=O)NCCN1C(=S)NC(=O)CC(C)C

Isomeric SMILES

CCC(C)OC(=O)CC1C(=O)NCCN1C(=S)NC(=O)CC(C)C

InChI

InChI=1S/C16H27N3O4S/c1-5-11(4)23-14(21)9-12-15(22)17-6-7-19(12)16(24)18-13(20)8-10(2)3/h10-12H,5-9H2,1-4H3,(H,17,22)(H,18,20,24)