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

Systemtic Name: ethyl 4-[4-(ethylcarbamothioyl)piperazin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[4-(ethylcarbamothioyl)piperazin-1-yl]sulfonylbenzoate CAS Name: 4-[[4-[ethylamino(sulfanylidene)methyl]-1-piperazinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-(ethylcarbamothioyl)piperazin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-(ethylthiocarbamoyl)piperazino]sulfonylbenzoic acid ethyl ester Formula: C16H23N3O4S2 MolecularWeight: 385.50152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O4S2/c1-3-17-16(24)18-9-11-19(12-10-18)25(21,22)14-7-5-13(6-8-14)15(20)23-4-2/h5-8H,3-4,9-12H2,1-2H3,(H,17,24)