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

Systemtic Name: 1-(4-methoxyphenyl)-3-[(2S)-2-(4-methylpiperazin-4-ium-1-yl)-2-thiophen-2-yl-ethyl]thiourea Openeye Name: 1-(4-methoxyphenyl)-3-[(2S)-2-(4-methylpiperazin-4-ium-1-yl)-2-(2-thienyl)ethyl]thiourea CAS Name: 1-(4-methoxyphenyl)-3-[(2S)-2-(4-methyl-1-piperazin-4-iumyl)-2-thiophen-2-ylethyl]thiourea IUPAC Name: 1-(4-methoxyphenyl)-3-[(2S)-2-(4-methylpiperazin-4-ium-1-yl)-2-thiophen-2-ylethyl]thiourea Traditional Name: 1-(4-methoxyphenyl)-3-[(2S)-2-(4-methylpiperazin-4-ium-1-yl)-2-(2-thienyl)ethyl]thiourea Formula: C19H27N4OS2+ MolecularWeight: 391.57388

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(CNC(=S)NC2=CC=C(C=C2)OC)C3=CC=CS3

Isomeric SMILES

C[NH+]1CCN(CC1)[C@@H](CNC(=S)NC2=CC=C(C=C2)OC)C3=CC=CS3

InChI

InChI=1S/C19H26N4OS2/c1-22-9-11-23(12-10-22)17(18-4-3-13-26-18)14-20-19(25)21-15-5-7-16(24-2)8-6-15/h3-8,13,17H,9-12,14H2,1-2H3,(H2,20,21,25)/p+1/t17-/m0/s1