1-(3-ethanoylphenyl)-3-(4-methylpiperazin-4-ium-1-yl)thiourea

Systemtic Name: 1-(3-ethanoylphenyl)-3-(4-methylpiperazin-4-ium-1-yl)thiourea Openeye Name: 1-(3-acetylphenyl)-3-(4-methylpiperazin-4-ium-1-yl)thiourea CAS Name: 1-(3-acetylphenyl)-3-(4-methyl-1-piperazin-4-iumyl)thiourea IUPAC Name: 1-(3-acetylphenyl)-3-(4-methylpiperazin-4-ium-1-yl)thiourea Traditional Name: 1-(3-acetylphenyl)-3-(4-methylpiperazin-4-ium-1-yl)thiourea Formula: C14H21N4OS+ MolecularWeight: 293.40774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC(=S)NN2CC[NH+](CC2)C

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC(=S)NN2CC[NH+](CC2)C

InChI

InChI=1S/C14H20N4OS/c1-11(19)12-4-3-5-13(10-12)15-14(20)16-18-8-6-17(2)7-9-18/h3-5,10H,6-9H2,1-2H3,(H2,15,16,20)/p+1