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

Systemtic Name: butyl 2-[1-(cyclopropylcarbonylcarbamothioyl)-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: butyl 2-[1-(cyclopropanecarbonylcarbamothioyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[[[cyclopropyl(oxo)methyl]amino]-sulfanylidenemethyl]-3-oxo-2-piperazinyl]acetic acid butyl ester IUPAC Name: butyl 2-[1-(cyclopropanecarbonylcarbamothioyl)-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-(cyclopropanecarbonylthiocarbamoyl)-3-keto-piperazin-2-yl]acetic acid butyl ester Formula: C15H23N3O4S MolecularWeight: 341.42582

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CC1C(=O)NCCN1C(=S)NC(=O)C2CC2

Isomeric SMILES

CCCCOC(=O)CC1C(=O)NCCN1C(=S)NC(=O)C2CC2

InChI

InChI=1S/C15H23N3O4S/c1-2-3-8-22-12(19)9-11-14(21)16-6-7-18(11)15(23)17-13(20)10-4-5-10/h10-11H,2-9H2,1H3,(H,16,21)(H,17,20,23)