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

Systemtic Name: ethyl 4-[4-(prop-2-enylcarbamothioyl)piperazin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[4-(allylcarbamothioyl)piperazin-1-yl]sulfonylbenzoate CAS Name: 4-[[4-[(prop-2-enylamino)-sulfanylidenemethyl]-1-piperazinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-(prop-2-enylcarbamothioyl)piperazin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-(allylthiocarbamoyl)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)NCC=C

Isomeric SMILES

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

InChI

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