1-(3,5-dimethylphenyl)-3-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]thiourea

Systemtic Name: 1-(3,5-dimethylphenyl)-3-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]thiourea Openeye Name: 1-(3,5-dimethylphenyl)-3-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]thiourea CAS Name: 1-(3,5-dimethylphenyl)-3-[3-(4-methyl-1-piperazine-1,4-diiumyl)propyl]thiourea IUPAC Name: 1-(3,5-dimethylphenyl)-3-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]thiourea Traditional Name: 1-(3,5-dimethylphenyl)-3-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]thiourea Formula: C17H30N4S+2 MolecularWeight: 322.5119

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=S)NCCC[NH+]2CC[NH+](CC2)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=S)NCCC[NH+]2CC[NH+](CC2)C)C

InChI

InChI=1S/C17H28N4S/c1-14-11-15(2)13-16(12-14)19-17(22)18-5-4-6-21-9-7-20(3)8-10-21/h11-13H,4-10H2,1-3H3,(H2,18,19,22)/p+2