1-ethyl-3-[2-[4-(phenylmethyl)piperazin-1-ium-1-yl]ethanoylamino]thiourea

Systemtic Name: 1-ethyl-3-[2-[4-(phenylmethyl)piperazin-1-ium-1-yl]ethanoylamino]thiourea Openeye Name: 1-[[2-(4-benzylpiperazin-1-ium-1-yl)acetyl]amino]-3-ethyl-thiourea CAS Name: 1-ethyl-3-[[1-oxo-2-[4-(phenylmethyl)-1-piperazin-1-iumyl]ethyl]amino]thiourea IUPAC Name: 1-[[2-(4-benzylpiperazin-1-ium-1-yl)acetyl]amino]-3-ethylthiourea Traditional Name: 1-[[2-(4-benzylpiperazin-1-ium-1-yl)acetyl]amino]-3-ethyl-thiourea Formula: C16H26N5OS+ MolecularWeight: 336.47554

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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