1-cyclohexyl-3-[(1S,2S)-1-(4-ethylpiperazine-1,4-diium-1-yl)-1-thiophen-2-yl-propan-2-yl]thiourea

Systemtic Name: 1-cyclohexyl-3-[(1S,2S)-1-(4-ethylpiperazine-1,4-diium-1-yl)-1-thiophen-2-yl-propan-2-yl]thiourea Openeye Name: 1-cyclohexyl-3-[(1S,2S)-2-(4-ethylpiperazine-1,4-diium-1-yl)-1-methyl-2-(2-thienyl)ethyl]thiourea CAS Name: 1-cyclohexyl-3-[(1S,2S)-1-(4-ethyl-1-piperazine-1,4-diiumyl)-1-thiophen-2-ylpropan-2-yl]thiourea IUPAC Name: 1-cyclohexyl-3-[(1S,2S)-1-(4-ethylpiperazine-1,4-diium-1-yl)-1-thiophen-2-ylpropan-2-yl]thiourea Traditional Name: 1-cyclohexyl-3-[(1S,2S)-2-(4-ethylpiperazine-1,4-diium-1-yl)-1-methyl-2-(2-thienyl)ethyl]thiourea Formula: C20H36N4S2+2 MolecularWeight: 396.65664

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CC[NH+](CC1)C(C2=CC=CS2)C(C)NC(=S)NC3CCCCC3

Isomeric SMILES

CC[NH+]1CC[NH+](CC1)[C@H](C2=CC=CS2)[C@H](C)NC(=S)NC3CCCCC3

InChI

InChI=1S/C20H34N4S2/c1-3-23-11-13-24(14-12-23)19(18-10-7-15-26-18)16(2)21-20(25)22-17-8-5-4-6-9-17/h7,10,15-17,19H,3-6,8-9,11-14H2,1-2H3,(H2,21,22,25)/p+2/t16-,19-/m0/s1