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

Systemtic Name: ethyl 4-[4-(propylcarbamothioyl)piperazin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[4-(propylcarbamothioyl)piperazin-1-yl]sulfonylbenzoate CAS Name: 4-[[4-[propylamino(sulfanylidene)methyl]-1-piperazinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-(propylcarbamothioyl)piperazin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-(propylthiocarbamoyl)piperazino]sulfonylbenzoic acid ethyl ester Formula: C17H25N3O4S2 MolecularWeight: 399.5281

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3O4S2/c1-3-9-18-17(25)19-10-12-20(13-11-19)26(22,23)15-7-5-14(6-8-15)16(21)24-4-2/h5-8H,3-4,9-13H2,1-2H3,(H,18,25)