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

Systemtic Name: 1-phenyl-3-[3-(4-phenylpiperazin-1-ium-1-yl)propanoylamino]thiourea Openeye Name: 1-phenyl-3-[3-(4-phenylpiperazin-1-ium-1-yl)propanoylamino]thiourea CAS Name: 1-[[1-oxo-3-(4-phenyl-1-piperazin-1-iumyl)propyl]amino]-3-phenylthiourea IUPAC Name: 1-phenyl-3-[3-(4-phenylpiperazin-1-ium-1-yl)propanoylamino]thiourea Traditional Name: 1-phenyl-3-[3-(4-phenylpiperazin-1-ium-1-yl)propanoylamino]thiourea Formula: C20H26N5OS+ MolecularWeight: 384.51834

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC(=O)NNC(=S)NC2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CCC(=O)NNC(=S)NC2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C20H25N5OS/c26-19(22-23-20(27)21-17-7-3-1-4-8-17)11-12-24-13-15-25(16-14-24)18-9-5-2-6-10-18/h1-10H,11-16H2,(H,22,26)(H2,21,23,27)/p+1