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

Systemtic Name: 1-(4-butylphenyl)-3-[(2R)-2-(4-methylpiperazine-1,4-diium-1-yl)-2-thiophen-2-yl-ethyl]thiourea Openeye Name: 1-(4-butylphenyl)-3-[(2R)-2-(4-methylpiperazine-1,4-diium-1-yl)-2-(2-thienyl)ethyl]thiourea CAS Name: 1-(4-butylphenyl)-3-[(2R)-2-(4-methyl-1-piperazine-1,4-diiumyl)-2-thiophen-2-ylethyl]thiourea IUPAC Name: 1-(4-butylphenyl)-3-[(2R)-2-(4-methylpiperazine-1,4-diium-1-yl)-2-thiophen-2-ylethyl]thiourea Traditional Name: 1-(4-butylphenyl)-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:

CCCCC1=CC=C(C=C1)NC(=S)NCC(C2=CC=CS2)[NH+]3CC[NH+](CC3)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)NC[C@H](C2=CC=CS2)[NH+]3CC[NH+](CC3)C

InChI

InChI=1S/C22H32N4S2/c1-3-4-6-18-8-10-19(11-9-18)24-22(27)23-17-20(21-7-5-16-28-21)26-14-12-25(2)13-15-26/h5,7-11,16,20H,3-4,6,12-15,17H2,1-2H3,(H2,23,24,27)/p+2/t20-/m1/s1