1-[(1R,2R)-1-(4-methylpiperazine-1,4-diium-1-yl)-1-thiophen-2-yl-propan-2-yl]-3-phenethyl-thiourea

Systemtic Name: 1-[(1R,2R)-1-(4-methylpiperazine-1,4-diium-1-yl)-1-thiophen-2-yl-propan-2-yl]-3-phenethyl-thiourea Openeye Name: 1-[(1R,2R)-1-methyl-2-(4-methylpiperazine-1,4-diium-1-yl)-2-(2-thienyl)ethyl]-3-phenethyl-thiourea CAS Name: 1-[(1R,2R)-1-(4-methyl-1-piperazine-1,4-diiumyl)-1-thiophen-2-ylpropan-2-yl]-3-phenethylthiourea IUPAC Name: 1-[(1R,2R)-1-(4-methylpiperazine-1,4-diium-1-yl)-1-thiophen-2-ylpropan-2-yl]-3-phenethylthiourea Traditional Name: 1-[(1R,2R)-1-methyl-2-(4-methylpiperazine-1,4-diium-1-yl)-2-(2-thienyl)ethyl]-3-phenethyl-thiourea Formula: C21H32N4S2+2 MolecularWeight: 404.63558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC=CS1)[NH+]2CC[NH+](CC2)C)NC(=S)NCCC3=CC=CC=C3

Isomeric SMILES

C[C@H]([C@H](C1=CC=CS1)[NH+]2CC[NH+](CC2)C)NC(=S)NCCC3=CC=CC=C3

InChI

InChI=1S/C21H30N4S2/c1-17(23-21(26)22-11-10-18-7-4-3-5-8-18)20(19-9-6-16-27-19)25-14-12-24(2)13-15-25/h3-9,16-17,20H,10-15H2,1-2H3,(H2,22,23,26)/p+2/t17-,20-/m1/s1