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

Systemtic Name: 3-methylbutyl 2-[3-oxidanylidene-1-(phenylcarbonylcarbamothioyl)piperazin-2-yl]ethanoate Openeye Name: isopentyl 2-[1-(benzoylcarbamothioyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[benzamido(sulfanylidene)methyl]-3-oxo-2-piperazinyl]acetic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 2-[1-(benzoylcarbamothioyl)-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-(benzoylthiocarbamoyl)-3-keto-piperazin-2-yl]acetic acid isoamyl ester Formula: C19H25N3O4S MolecularWeight: 391.4845

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC(=O)CC1C(=O)NCCN1C(=S)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)CCOC(=O)CC1C(=O)NCCN1C(=S)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C19H25N3O4S/c1-13(2)8-11-26-16(23)12-15-18(25)20-9-10-22(15)19(27)21-17(24)14-6-4-3-5-7-14/h3-7,13,15H,8-12H2,1-2H3,(H,20,25)(H,21,24,27)