methyl 2-[1-[(3,5-dimethylphenyl)carbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: methyl 2-[1-[(3,5-dimethylphenyl)carbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: methyl 2-[1-[(3,5-dimethylphenyl)carbamothioyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[(3,5-dimethylanilino)-sulfanylidenemethyl]-3-oxo-2-piperazinyl]acetic acid methyl ester IUPAC Name: methyl 2-[1-[(3,5-dimethylphenyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-[(3,5-dimethylphenyl)thiocarbamoyl]-3-keto-piperazin-2-yl]acetic acid methyl ester Formula: C16H21N3O3S MolecularWeight: 335.42124

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=S)N2CCNC(=O)C2CC(=O)OC)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=S)N2CCNC(=O)C2CC(=O)OC)C

InChI

InChI=1S/C16H21N3O3S/c1-10-6-11(2)8-12(7-10)18-16(23)19-5-4-17-15(21)13(19)9-14(20)22-3/h6-8,13H,4-5,9H2,1-3H3,(H,17,21)(H,18,23)