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

Systemtic Name: 1-(2-methylphenyl)-3-[(1R,2R)-1-(4-methylpiperazine-1,4-diium-1-yl)-1-thiophen-2-yl-propan-2-yl]thiourea Openeye Name: 1-[(1R,2R)-1-methyl-2-(4-methylpiperazine-1,4-diium-1-yl)-2-(2-thienyl)ethyl]-3-(o-tolyl)thiourea CAS Name: 1-(2-methylphenyl)-3-[(1R,2R)-1-(4-methyl-1-piperazine-1,4-diiumyl)-1-thiophen-2-ylpropan-2-yl]thiourea IUPAC Name: 1-(2-methylphenyl)-3-[(1R,2R)-1-(4-methylpiperazine-1,4-diium-1-yl)-1-thiophen-2-ylpropan-2-yl]thiourea Traditional Name: 1-[(1R,2R)-1-methyl-2-(4-methylpiperazine-1,4-diium-1-yl)-2-(2-thienyl)ethyl]-3-(o-tolyl)thiourea Formula: C20H30N4S2+2 MolecularWeight: 390.609

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)NC(C)C(C2=CC=CS2)[NH+]3CC[NH+](CC3)C

Isomeric SMILES

CC1=CC=CC=C1NC(=S)N[C@H](C)[C@H](C2=CC=CS2)[NH+]3CC[NH+](CC3)C

InChI

InChI=1S/C20H28N4S2/c1-15-7-4-5-8-17(15)22-20(25)21-16(2)19(18-9-6-14-26-18)24-12-10-23(3)11-13-24/h4-9,14,16,19H,10-13H2,1-3H3,(H2,21,22,25)/p+2/t16-,19-/m1/s1