1-ethyl-3-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanoylamino]thiourea

Systemtic Name: 1-ethyl-3-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanoylamino]thiourea Openeye Name: 1-ethyl-3-[[2-[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]acetyl]amino]thiourea CAS Name: 1-ethyl-3-[[2-[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]-1-oxoethyl]amino]thiourea IUPAC Name: 1-ethyl-3-[[2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]amino]thiourea Traditional Name: 1-ethyl-3-[[2-(4-tosylpiperazin-1-ium-1-yl)acetyl]amino]thiourea Formula: C16H26N5O3S2+ MolecularWeight: 400.53934

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)NNC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCNC(=S)NNC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C16H25N5O3S2/c1-3-17-16(25)19-18-15(22)12-20-8-10-21(11-9-20)26(23,24)14-6-4-13(2)5-7-14/h4-7H,3,8-12H2,1-2H3,(H,18,22)(H2,17,19,25)/p+1