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

Systemtic Name: 1-(4-ethylphenyl)-3-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]thiourea Openeye Name: 1-(4-ethylphenyl)-3-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]thiourea CAS Name: 1-(4-ethylphenyl)-3-[3-(4-methyl-1-piperazine-1,4-diiumyl)propyl]thiourea IUPAC Name: 1-(4-ethylphenyl)-3-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]thiourea Traditional Name: 1-(4-ethylphenyl)-3-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]thiourea Formula: C17H30N4S+2 MolecularWeight: 322.5119

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=S)NCCC[NH+]2CC[NH+](CC2)C

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=S)NCCC[NH+]2CC[NH+](CC2)C

InChI

InChI=1S/C17H28N4S/c1-3-15-5-7-16(8-6-15)19-17(22)18-9-4-10-21-13-11-20(2)12-14-21/h5-8H,3-4,9-14H2,1-2H3,(H2,18,19,22)/p+2