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

Systemtic Name: ethyl 4-[4-(propan-2-ylcarbamothioyl)piperazin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[4-(isopropylcarbamothioyl)piperazin-1-yl]sulfonylbenzoate CAS Name: 4-[[4-[(propan-2-ylamino)-sulfanylidenemethyl]-1-piperazinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-(propan-2-ylcarbamothioyl)piperazin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-(isopropylthiocarbamoyl)piperazino]sulfonylbenzoic acid ethyl ester Formula: C17H25N3O4S2 MolecularWeight: 399.5281

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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(C)C

Isomeric SMILES

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

InChI

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