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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)CC1C(=O)NCCN1C(=S)NC2=CC=CC=C2

Isomeric SMILES

CCCCCOC(=O)CC1C(=O)NCCN1C(=S)NC2=CC=CC=C2

InChI

InChI=1S/C18H25N3O3S/c1-2-3-7-12-24-16(22)13-15-17(23)19-10-11-21(15)18(25)20-14-8-5-4-6-9-14/h4-6,8-9,15H,2-3,7,10-13H2,1H3,(H,19,23)(H,20,25)