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

Systemtic Name: 3-methylbutyl 2-[3-oxidanylidene-1-(phenylcarbamothioyl)piperazin-2-yl]ethanoate Openeye Name: isopentyl 2-[3-oxo-1-(phenylcarbamothioyl)piperazin-2-yl]acetate CAS Name: 2-[1-[anilino(sulfanylidene)methyl]-3-oxo-2-piperazinyl]acetic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 2-[3-oxo-1-(phenylcarbamothioyl)piperazin-2-yl]acetate Traditional Name: 2-[3-keto-1-(phenylthiocarbamoyl)piperazin-2-yl]acetic acid isoamyl ester Formula: C18H25N3O3S MolecularWeight: 363.4744

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC(=O)CC1C(=O)NCCN1C(=S)NC2=CC=CC=C2

Isomeric SMILES

CC(C)CCOC(=O)CC1C(=O)NCCN1C(=S)NC2=CC=CC=C2

InChI

InChI=1S/C18H25N3O3S/c1-13(2)8-11-24-16(22)12-15-17(23)19-9-10-21(15)18(25)20-14-6-4-3-5-7-14/h3-7,13,15H,8-12H2,1-2H3,(H,19,23)(H,20,25)