ethyl 4-[4-(butylcarbamothioyl)piperazin-1-yl]sulfonylbenzoate

Systemtic Name: ethyl 4-[4-(butylcarbamothioyl)piperazin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[4-(butylcarbamothioyl)piperazin-1-yl]sulfonylbenzoate CAS Name: 4-[[4-[butylamino(sulfanylidene)methyl]-1-piperazinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-(butylcarbamothioyl)piperazin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-(butylthiocarbamoyl)piperazino]sulfonylbenzoic acid ethyl ester Formula: C18H27N3O4S2 MolecularWeight: 413.55468

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC

Isomeric SMILES

CCCCNC(=S)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC

InChI

InChI=1S/C18H27N3O4S2/c1-3-5-10-19-18(26)20-11-13-21(14-12-20)27(23,24)16-8-6-15(7-9-16)17(22)25-4-2/h6-9H,3-5,10-14H2,1-2H3,(H,19,26)