1-(2,5-dimethylphenyl)-3-[3-(4-phenylpiperazin-1-ium-1-yl)propanoylamino]thiourea

Systemtic Name: 1-(2,5-dimethylphenyl)-3-[3-(4-phenylpiperazin-1-ium-1-yl)propanoylamino]thiourea Openeye Name: 1-(2,5-dimethylphenyl)-3-[3-(4-phenylpiperazin-1-ium-1-yl)propanoylamino]thiourea CAS Name: 1-(2,5-dimethylphenyl)-3-[[1-oxo-3-(4-phenyl-1-piperazin-1-iumyl)propyl]amino]thiourea IUPAC Name: 1-(2,5-dimethylphenyl)-3-[3-(4-phenylpiperazin-1-ium-1-yl)propanoylamino]thiourea Traditional Name: 1-(2,5-dimethylphenyl)-3-[3-(4-phenylpiperazin-1-ium-1-yl)propanoylamino]thiourea Formula: C22H30N5OS+ MolecularWeight: 412.5715

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=S)NNC(=O)CC[NH+]2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=S)NNC(=O)CC[NH+]2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C22H29N5OS/c1-17-8-9-18(2)20(16-17)23-22(29)25-24-21(28)10-11-26-12-14-27(15-13-26)19-6-4-3-5-7-19/h3-9,16H,10-15H2,1-2H3,(H,24,28)(H2,23,25,29)/p+1