(E)-3-(1-methyl-4-sulfanyl-pyrrolidin-2-yl)-1-piperazin-1-yl-prop-2-en-1-one

Systemtic Name: (E)-3-(1-methyl-4-sulfanyl-pyrrolidin-2-yl)-1-piperazin-1-yl-prop-2-en-1-one Openeye Name: (E)-3-(1-methyl-4-sulfanyl-pyrrolidin-2-yl)-1-piperazin-1-yl-prop-2-en-1-one CAS Name: (E)-3-(4-mercapto-1-methyl-2-pyrrolidinyl)-1-(1-piperazinyl)-2-propen-1-one IUPAC Name: (E)-3-(1-methyl-4-sulfanylpyrrolidin-2-yl)-1-piperazin-1-ylprop-2-en-1-one Traditional Name: (E)-3-(4-mercapto-1-methyl-pyrrolidin-2-yl)-1-piperazino-prop-2-en-1-one Formula: C12H21N3OS MolecularWeight: 255.37964

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC(CC1C=CC(=O)N2CCNCC2)S

Isomeric SMILES

CN1CC(CC1/C=C/C(=O)N2CCNCC2)S

InChI

InChI=1S/C12H21N3OS/c1-14-9-11(17)8-10(14)2-3-12(16)15-6-4-13-5-7-15/h2-3,10-11,13,17H,4-9H2,1H3/b3-2+