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

Systemtic Name: decyl 2-[1-(2-methylpropanoylcarbamothioyl)-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: decyl 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 decyl ester IUPAC Name: decyl 2-[1-(2-methylpropanoylcarbamothioyl)-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-(isobutyrylthiocarbamoyl)-3-keto-piperazin-2-yl]acetic acid decyl ester Formula: C21H37N3O4S MolecularWeight: 427.60118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H37N3O4S/c1-4-5-6-7-8-9-10-11-14-28-18(25)15-17-20(27)22-12-13-24(17)21(29)23-19(26)16(2)3/h16-17H,4-15H2,1-3H3,(H,22,27)(H,23,26,29)