1-ethyl-3-[2-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]ethanoylamino]thiourea

Systemtic Name: 1-ethyl-3-[2-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]ethanoylamino]thiourea Openeye Name: 1-[[2-(4-benzylpiperazine-1,4-diium-1-yl)acetyl]amino]-3-ethyl-thiourea CAS Name: 1-ethyl-3-[[1-oxo-2-[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]ethyl]amino]thiourea IUPAC Name: 1-[[2-(4-benzylpiperazine-1,4-diium-1-yl)acetyl]amino]-3-ethylthiourea Traditional Name: 1-[[2-(4-benzylpiperazine-1,4-diium-1-yl)acetyl]amino]-3-ethyl-thiourea Formula: C16H27N5OS+2 MolecularWeight: 337.48348

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)NNC(=O)C[NH+]1CC[NH+](CC1)CC2=CC=CC=C2

Isomeric SMILES

CCNC(=S)NNC(=O)C[NH+]1CC[NH+](CC1)CC2=CC=CC=C2

InChI

InChI=1S/C16H25N5OS/c1-2-17-16(23)19-18-15(22)13-21-10-8-20(9-11-21)12-14-6-4-3-5-7-14/h3-7H,2,8-13H2,1H3,(H,18,22)(H2,17,19,23)/p+2