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

Systemtic Name: dodecyl 2-[1-(ethylcarbamothioyl)-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: dodecyl 2-[1-(ethylcarbamothioyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[ethylamino(sulfanylidene)methyl]-3-oxo-2-piperazinyl]acetic acid dodecyl ester IUPAC Name: dodecyl 2-[1-(ethylcarbamothioyl)-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-(ethylthiocarbamoyl)-3-keto-piperazin-2-yl]acetic acid lauryl ester Formula: C21H39N3O3S MolecularWeight: 413.61766

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC(=O)CC1C(=O)NCCN1C(=S)NCC

Isomeric SMILES

CCCCCCCCCCCCOC(=O)CC1C(=O)NCCN1C(=S)NCC

InChI

InChI=1S/C21H39N3O3S/c1-3-5-6-7-8-9-10-11-12-13-16-27-19(25)17-18-20(26)23-14-15-24(18)21(28)22-4-2/h18H,3-17H2,1-2H3,(H,22,28)(H,23,26)