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

Systemtic Name: ethyl 4-[4-(2-methoxyethylcarbamothioyl)piperazin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[4-(2-methoxyethylcarbamothioyl)piperazin-1-yl]sulfonylbenzoate CAS Name: 4-[[4-[(2-methoxyethylamino)-sulfanylidenemethyl]-1-piperazinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-(2-methoxyethylcarbamothioyl)piperazin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-(2-methoxyethylthiocarbamoyl)piperazino]sulfonylbenzoic acid ethyl ester Formula: C17H25N3O5S2 MolecularWeight: 415.5275

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3O5S2/c1-3-25-16(21)14-4-6-15(7-5-14)27(22,23)20-11-9-19(10-12-20)17(26)18-8-13-24-2/h4-7H,3,8-13H2,1-2H3,(H,18,26)