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

Systemtic Name: methyl 2-[1-[(3-methylphenyl)carbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: methyl 2-[1-(m-tolylcarbamothioyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[(3-methylanilino)-sulfanylidenemethyl]-3-oxo-2-piperazinyl]acetic acid methyl ester IUPAC Name: methyl 2-[1-[(3-methylphenyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[3-keto-1-(m-tolylthiocarbamoyl)piperazin-2-yl]acetic acid methyl ester Formula: C15H19N3O3S MolecularWeight: 321.39466

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19N3O3S/c1-10-4-3-5-11(8-10)17-15(22)18-7-6-16-14(20)12(18)9-13(19)21-2/h3-5,8,12H,6-7,9H2,1-2H3,(H,16,20)(H,17,22)