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

Systemtic Name: 3-methylbutyl 2-[1-(3-methylbutanoylcarbamothioyl)-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: isopentyl 2-[1-(3-methylbutanoylcarbamothioyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[[(3-methyl-1-oxobutyl)amino]-sulfanylidenemethyl]-3-oxo-2-piperazinyl]acetic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 2-[1-(3-methylbutanoylcarbamothioyl)-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-(isovalerylthiocarbamoyl)-3-keto-piperazin-2-yl]acetic acid isoamyl ester Formula: C17H29N3O4S MolecularWeight: 371.49486

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC(=O)CC1C(=O)NCCN1C(=S)NC(=O)CC(C)C

Isomeric SMILES

CC(C)CCOC(=O)CC1C(=O)NCCN1C(=S)NC(=O)CC(C)C

InChI

InChI=1S/C17H29N3O4S/c1-11(2)5-8-24-15(22)10-13-16(23)18-6-7-20(13)17(25)19-14(21)9-12(3)4/h11-13H,5-10H2,1-4H3,(H,18,23)(H,19,21,25)