1-(2,6-diethylphenyl)-3-[(2R)-2-(4-methylpiperazine-1,4-diium-1-yl)-2-thiophen-2-yl-ethyl]thiourea

Systemtic Name: 1-(2,6-diethylphenyl)-3-[(2R)-2-(4-methylpiperazine-1,4-diium-1-yl)-2-thiophen-2-yl-ethyl]thiourea Openeye Name: 1-(2,6-diethylphenyl)-3-[(2R)-2-(4-methylpiperazine-1,4-diium-1-yl)-2-(2-thienyl)ethyl]thiourea CAS Name: 1-(2,6-diethylphenyl)-3-[(2R)-2-(4-methyl-1-piperazine-1,4-diiumyl)-2-thiophen-2-ylethyl]thiourea IUPAC Name: 1-(2,6-diethylphenyl)-3-[(2R)-2-(4-methylpiperazine-1,4-diium-1-yl)-2-thiophen-2-ylethyl]thiourea Traditional Name: 1-(2,6-diethylphenyl)-3-[(2R)-2-(4-methylpiperazine-1,4-diium-1-yl)-2-(2-thienyl)ethyl]thiourea Formula: C22H34N4S2+2 MolecularWeight: 418.66216

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=S)NCC(C2=CC=CS2)[NH+]3CC[NH+](CC3)C

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=S)NC[C@H](C2=CC=CS2)[NH+]3CC[NH+](CC3)C

InChI

InChI=1S/C22H32N4S2/c1-4-17-8-6-9-18(5-2)21(17)24-22(27)23-16-19(20-10-7-15-28-20)26-13-11-25(3)12-14-26/h6-10,15,19H,4-5,11-14,16H2,1-3H3,(H2,23,24,27)/p+2/t19-/m1/s1