3-methylbutyl 2-[3-oxidanylidene-1-(pentanoylcarbamothioyl)piperazin-2-yl]ethanoate

Systemtic Name: 3-methylbutyl 2-[3-oxidanylidene-1-(pentanoylcarbamothioyl)piperazin-2-yl]ethanoate Openeye Name: isopentyl 2-[3-oxo-1-(pentanoylcarbamothioyl)piperazin-2-yl]acetate CAS Name: 2-[3-oxo-1-[(1-oxopentylamino)-sulfanylidenemethyl]-2-piperazinyl]acetic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 2-[3-oxo-1-(pentanoylcarbamothioyl)piperazin-2-yl]acetate Traditional Name: 2-[3-keto-1-(valerylthiocarbamoyl)piperazin-2-yl]acetic acid isoamyl ester Formula: C17H29N3O4S MolecularWeight: 371.49486

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC(=S)N1CCNC(=O)C1CC(=O)OCCC(C)C

Isomeric SMILES

CCCCC(=O)NC(=S)N1CCNC(=O)C1CC(=O)OCCC(C)C

InChI

InChI=1S/C17H29N3O4S/c1-4-5-6-14(21)19-17(25)20-9-8-18-16(23)13(20)11-15(22)24-10-7-12(2)3/h12-13H,4-11H2,1-3H3,(H,18,23)(H,19,21,25)