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

Systemtic Name: methyl 2-[3-oxidanylidene-1-(phenylcarbamothioyl)piperazin-2-yl]ethanoate Openeye Name: methyl 2-[3-oxo-1-(phenylcarbamothioyl)piperazin-2-yl]acetate CAS Name: 2-[1-[anilino(sulfanylidene)methyl]-3-oxo-2-piperazinyl]acetic acid methyl ester IUPAC Name: methyl 2-[3-oxo-1-(phenylcarbamothioyl)piperazin-2-yl]acetate Traditional Name: 2-[3-keto-1-(phenylthiocarbamoyl)piperazin-2-yl]acetic acid methyl ester Formula: C14H17N3O3S MolecularWeight: 307.36808

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N3O3S/c1-20-12(18)9-11-13(19)15-7-8-17(11)14(21)16-10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3,(H,15,19)(H,16,21)