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

Systemtic Name: 1-[3-(4-phenylpiperazin-1-ium-1-yl)propanoylamino]-3-(4-propan-2-ylphenyl)thiourea Openeye Name: 1-(4-isopropylphenyl)-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-(4-propan-2-ylphenyl)thiourea IUPAC Name: 1-[3-(4-phenylpiperazin-1-ium-1-yl)propanoylamino]-3-(4-propan-2-ylphenyl)thiourea Traditional Name: 1-p-cumenyl-3-[3-(4-phenylpiperazin-1-ium-1-yl)propanoylamino]thiourea Formula: C23H32N5OS+ MolecularWeight: 426.59808

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31N5OS/c1-18(2)19-8-10-20(11-9-19)24-23(30)26-25-22(29)12-13-27-14-16-28(17-15-27)21-6-4-3-5-7-21/h3-11,18H,12-17H2,1-2H3,(H,25,29)(H2,24,26,30)/p+1