methyl 2-[(2R)-1-(2-methylprop-2-enylcarbamothioyl)-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: methyl 2-[(2R)-1-(2-methylprop-2-enylcarbamothioyl)-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: methyl 2-[(2R)-1-(2-methylallylcarbamothioyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[(2R)-1-[(2-methylprop-2-enylamino)-sulfanylidenemethyl]-3-oxo-2-piperazinyl]acetic acid methyl ester IUPAC Name: methyl 2-[(2R)-1-(2-methylprop-2-enylcarbamothioyl)-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[(2R)-3-keto-1-(2-methylallylthiocarbamoyl)piperazin-2-yl]acetic acid methyl ester Formula: C12H19N3O3S MolecularWeight: 285.36256

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CNC(=S)N1CCNC(=O)C1CC(=O)OC

Isomeric SMILES

CC(=C)CNC(=S)N1CCNC(=O)[C@H]1CC(=O)OC

InChI

InChI=1S/C12H19N3O3S/c1-8(2)7-14-12(19)15-5-4-13-11(17)9(15)6-10(16)18-3/h9H,1,4-7H2,2-3H3,(H,13,17)(H,14,19)/t9-/m1/s1