3-(4-methylphenyl)-1-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]-1-(thiophen-2-ylmethyl)thiourea

Systemtic Name: 3-(4-methylphenyl)-1-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]-1-(thiophen-2-ylmethyl)thiourea Openeye Name: 1-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]-3-(p-tolyl)-1-(2-thienylmethyl)thiourea CAS Name: 3-(4-methylphenyl)-1-[3-(4-methyl-1-piperazine-1,4-diiumyl)propyl]-1-(thiophen-2-ylmethyl)thiourea IUPAC Name: 3-(4-methylphenyl)-1-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]-1-(thiophen-2-ylmethyl)thiourea Traditional Name: 1-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]-3-(p-tolyl)-1-(2-thenyl)thiourea Formula: C21H32N4S2+2 MolecularWeight: 404.63558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=S)N(CCC[NH+]2CC[NH+](CC2)C)CC3=CC=CS3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=S)N(CCC[NH+]2CC[NH+](CC2)C)CC3=CC=CS3

InChI

InChI=1S/C21H30N4S2/c1-18-6-8-19(9-7-18)22-21(26)25(17-20-5-3-16-27-20)11-4-10-24-14-12-23(2)13-15-24/h3,5-9,16H,4,10-15,17H2,1-2H3,(H,22,26)/p+2