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

Systemtic Name: 3-(4-ethylphenyl)-1-(furan-2-ylmethyl)-1-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]thiourea Openeye Name: 3-(4-ethylphenyl)-1-(2-furylmethyl)-1-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]thiourea CAS Name: 3-(4-ethylphenyl)-1-(2-furanylmethyl)-1-[3-(4-methyl-1-piperazine-1,4-diiumyl)propyl]thiourea IUPAC Name: 3-(4-ethylphenyl)-1-(furan-2-ylmethyl)-1-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]thiourea Traditional Name: 3-(4-ethylphenyl)-1-(2-furfuryl)-1-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]thiourea Formula: C22H34N4OS+2 MolecularWeight: 402.59656

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=S)N(CCC[NH+]2CC[NH+](CC2)C)CC3=CC=CO3

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=S)N(CCC[NH+]2CC[NH+](CC2)C)CC3=CC=CO3

InChI

InChI=1S/C22H32N4OS/c1-3-19-7-9-20(10-8-19)23-22(28)26(18-21-6-4-17-27-21)12-5-11-25-15-13-24(2)14-16-25/h4,6-10,17H,3,5,11-16,18H2,1-2H3,(H,23,28)/p+2