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

Systemtic Name: 1-[(4-methoxyphenyl)methyl]-3-[(2R)-2-(4-methylpiperazine-1,4-diium-1-yl)-2-thiophen-2-yl-ethyl]thiourea Openeye Name: 1-[(4-methoxyphenyl)methyl]-3-[(2R)-2-(4-methylpiperazine-1,4-diium-1-yl)-2-(2-thienyl)ethyl]thiourea CAS Name: 1-[(4-methoxyphenyl)methyl]-3-[(2R)-2-(4-methyl-1-piperazine-1,4-diiumyl)-2-thiophen-2-ylethyl]thiourea IUPAC Name: 1-[(4-methoxyphenyl)methyl]-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-p-anisyl-thiourea Formula: C20H30N4OS2+2 MolecularWeight: 406.6084

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)C(CNC(=S)NCC2=CC=C(C=C2)OC)C3=CC=CS3

Isomeric SMILES

C[NH+]1CC[NH+](CC1)[C@H](CNC(=S)NCC2=CC=C(C=C2)OC)C3=CC=CS3

InChI

InChI=1S/C20H28N4OS2/c1-23-9-11-24(12-10-23)18(19-4-3-13-27-19)15-22-20(26)21-14-16-5-7-17(25-2)8-6-16/h3-8,13,18H,9-12,14-15H2,1-2H3,(H2,21,22,26)/p+2/t18-/m1/s1