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

Systemtic Name: 3-(4-ethylphenyl)-1-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]-1-(thiophen-2-ylmethyl)thiourea Openeye Name: 3-(4-ethylphenyl)-1-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]-1-(2-thienylmethyl)thiourea CAS Name: 3-(4-ethylphenyl)-1-[3-(4-methyl-1-piperazine-1,4-diiumyl)propyl]-1-(thiophen-2-ylmethyl)thiourea IUPAC Name: 3-(4-ethylphenyl)-1-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]-1-(thiophen-2-ylmethyl)thiourea Traditional Name: 3-(4-ethylphenyl)-1-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]-1-(2-thenyl)thiourea Formula: C22H34N4S2+2 MolecularWeight: 418.66216

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=S)N(CCC[NH+]2CC[NH+](CC2)C)CC3=CC=CS3

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=S)N(CCC[NH+]2CC[NH+](CC2)C)CC3=CC=CS3

InChI

InChI=1S/C22H32N4S2/c1-3-19-7-9-20(10-8-19)23-22(27)26(18-21-6-4-17-28-21)12-5-11-25-15-13-24(2)14-16-25/h4,6-10,17H,3,5,11-16,18H2,1-2H3,(H,23,27)/p+2