1-[(4-methoxyphenyl)methyl]-3-[(2S)-2-(4-methylpiperazin-4-ium-1-yl)-2-thiophen-2-yl-ethyl]thiourea

Systemtic Name: 1-[(4-methoxyphenyl)methyl]-3-[(2S)-2-(4-methylpiperazin-4-ium-1-yl)-2-thiophen-2-yl-ethyl]thiourea Openeye Name: 1-[(4-methoxyphenyl)methyl]-3-[(2S)-2-(4-methylpiperazin-4-ium-1-yl)-2-(2-thienyl)ethyl]thiourea CAS Name: 1-[(4-methoxyphenyl)methyl]-3-[(2S)-2-(4-methyl-1-piperazin-4-iumyl)-2-thiophen-2-ylethyl]thiourea IUPAC Name: 1-[(4-methoxyphenyl)methyl]-3-[(2S)-2-(4-methylpiperazin-4-ium-1-yl)-2-thiophen-2-ylethyl]thiourea Traditional Name: 1-[(2S)-2-(4-methylpiperazin-4-ium-1-yl)-2-(2-thienyl)ethyl]-3-p-anisyl-thiourea Formula: C20H29N4OS2+ MolecularWeight: 405.60046

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[NH+]1CCN(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+1/t18-/m0/s1