ethyl 4-[4-(2-methylprop-2-enylcarbamothioyl)piperazin-1-yl]sulfonylbenzoate

Systemtic Name: ethyl 4-[4-(2-methylprop-2-enylcarbamothioyl)piperazin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[4-(2-methylallylcarbamothioyl)piperazin-1-yl]sulfonylbenzoate CAS Name: 4-[[4-[(2-methylprop-2-enylamino)-sulfanylidenemethyl]-1-piperazinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-(2-methylprop-2-enylcarbamothioyl)piperazin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-(2-methylallylthiocarbamoyl)piperazino]sulfonylbenzoic acid ethyl ester Formula: C18H25N3O4S2 MolecularWeight: 411.5388

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NCC(=C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NCC(=C)C

InChI

InChI=1S/C18H25N3O4S2/c1-4-25-17(22)15-5-7-16(8-6-15)27(23,24)21-11-9-20(10-12-21)18(26)19-13-14(2)3/h5-8H,2,4,9-13H2,1,3H3,(H,19,26)