1-(1,3-benzodioxol-5-ylmethyl)-3-[(2R)-2-(4-methylpiperazine-1,4-diium-1-yl)-2-thiophen-2-yl-ethyl]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(2R)-2-(4-methylpiperazine-1,4-diium-1-yl)-2-thiophen-2-yl-ethyl]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(2R)-2-(4-methylpiperazine-1,4-diium-1-yl)-2-(2-thienyl)ethyl]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(2R)-2-(4-methyl-1-piperazine-1,4-diiumyl)-2-thiophen-2-ylethyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(2R)-2-(4-methylpiperazine-1,4-diium-1-yl)-2-thiophen-2-ylethyl]thiourea Traditional Name: 1-[(2R)-2-(4-methylpiperazine-1,4-diium-1-yl)-2-(2-thienyl)ethyl]-3-piperonyl-thiourea Formula: C20H28N4O2S2+2 MolecularWeight: 420.59192

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)C(CNC(=S)NCC2=CC3=C(C=C2)OCO3)C4=CC=CS4

Isomeric SMILES

C[NH+]1CC[NH+](CC1)[C@H](CNC(=S)NCC2=CC3=C(C=C2)OCO3)C4=CC=CS4

InChI

InChI=1S/C20H26N4O2S2/c1-23-6-8-24(9-7-23)16(19-3-2-10-28-19)13-22-20(27)21-12-15-4-5-17-18(11-15)26-14-25-17/h2-5,10-11,16H,6-9,12-14H2,1H3,(H2,21,22,27)/p+2/t16-/m1/s1