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

Systemtic Name: ethyl 4-[4-(methylcarbamothioyl)piperazin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[4-(methylcarbamothioyl)piperazin-1-yl]sulfonylbenzoate CAS Name: 4-[[4-[methylamino(sulfanylidene)methyl]-1-piperazinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-(methylcarbamothioyl)piperazin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-(methylthiocarbamoyl)piperazino]sulfonylbenzoic acid ethyl ester Formula: C15H21N3O4S2 MolecularWeight: 371.47494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21N3O4S2/c1-3-22-14(19)12-4-6-13(7-5-12)24(20,21)18-10-8-17(9-11-18)15(23)16-2/h4-7H,3,8-11H2,1-2H3,(H,16,23)