dodecyl 2-[1-(2-methylpropanoylcarbamothioyl)-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: dodecyl 2-[1-(2-methylpropanoylcarbamothioyl)-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: dodecyl 2-[1-(2-methylpropanoylcarbamothioyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[[(2-methyl-1-oxopropyl)amino]-sulfanylidenemethyl]-3-oxo-2-piperazinyl]acetic acid dodecyl ester IUPAC Name: dodecyl 2-[1-(2-methylpropanoylcarbamothioyl)-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-(isobutyrylthiocarbamoyl)-3-keto-piperazin-2-yl]acetic acid lauryl ester Formula: C23H41N3O4S MolecularWeight: 455.65434

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC(=O)CC1C(=O)NCCN1C(=S)NC(=O)C(C)C

Isomeric SMILES

CCCCCCCCCCCCOC(=O)CC1C(=O)NCCN1C(=S)NC(=O)C(C)C

InChI

InChI=1S/C23H41N3O4S/c1-4-5-6-7-8-9-10-11-12-13-16-30-20(27)17-19-22(29)24-14-15-26(19)23(31)25-21(28)18(2)3/h18-19H,4-17H2,1-3H3,(H,24,29)(H,25,28,31)