1-(2-chlorophenyl)-3-[3-(4-phenylpiperazin-1-ium-1-yl)propanoylamino]thiourea

Systemtic Name: 1-(2-chlorophenyl)-3-[3-(4-phenylpiperazin-1-ium-1-yl)propanoylamino]thiourea Openeye Name: 1-(2-chlorophenyl)-3-[3-(4-phenylpiperazin-1-ium-1-yl)propanoylamino]thiourea CAS Name: 1-(2-chlorophenyl)-3-[[1-oxo-3-(4-phenyl-1-piperazin-1-iumyl)propyl]amino]thiourea IUPAC Name: 1-(2-chlorophenyl)-3-[3-(4-phenylpiperazin-1-ium-1-yl)propanoylamino]thiourea Traditional Name: 1-(2-chlorophenyl)-3-[3-(4-phenylpiperazin-1-ium-1-yl)propanoylamino]thiourea Formula: C20H25ClN5OS+ MolecularWeight: 418.9634

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC(=O)NNC(=S)NC2=CC=CC=C2Cl)C3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CCC(=O)NNC(=S)NC2=CC=CC=C2Cl)C3=CC=CC=C3

InChI

InChI=1S/C20H24ClN5OS/c21-17-8-4-5-9-18(17)22-20(28)24-23-19(27)10-11-25-12-14-26(15-13-25)16-6-2-1-3-7-16/h1-9H,10-15H2,(H,23,27)(H2,22,24,28)/p+1