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

Systemtic Name: butyl 2-[1-(ethylcarbamothioyl)-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: butyl 2-[1-(ethylcarbamothioyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[ethylamino(sulfanylidene)methyl]-3-oxo-2-piperazinyl]acetic acid butyl ester IUPAC Name: butyl 2-[1-(ethylcarbamothioyl)-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-(ethylthiocarbamoyl)-3-keto-piperazin-2-yl]acetic acid butyl ester Formula: C13H23N3O3S MolecularWeight: 301.40502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H23N3O3S/c1-3-5-8-19-11(17)9-10-12(18)15-6-7-16(10)13(20)14-4-2/h10H,3-9H2,1-2H3,(H,14,20)(H,15,18)