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

Systemtic Name: ethyl 4-[4-(cyclopropylcarbamothioyl)piperazin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[4-(cyclopropylcarbamothioyl)piperazin-1-yl]sulfonylbenzoate CAS Name: 4-[[4-[(cyclopropylamino)-sulfanylidenemethyl]-1-piperazinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-(cyclopropylcarbamothioyl)piperazin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-(cyclopropylthiocarbamoyl)piperazino]sulfonylbenzoic acid ethyl ester Formula: C17H23N3O4S2 MolecularWeight: 397.51222

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NC3CC3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NC3CC3

InChI

InChI=1S/C17H23N3O4S2/c1-2-24-16(21)13-3-7-15(8-4-13)26(22,23)20-11-9-19(10-12-20)17(25)18-14-5-6-14/h3-4,7-8,14H,2,5-6,9-12H2,1H3,(H,18,25)