1-(4-cyanophenyl)-3-[(2R)-2-(4-methylpiperazin-4-ium-1-yl)-2-thiophen-2-yl-ethyl]urea

Systemtic Name: 1-(4-cyanophenyl)-3-[(2R)-2-(4-methylpiperazin-4-ium-1-yl)-2-thiophen-2-yl-ethyl]urea Openeye Name: 1-(4-cyanophenyl)-3-[(2R)-2-(4-methylpiperazin-4-ium-1-yl)-2-(2-thienyl)ethyl]urea CAS Name: 1-(4-cyanophenyl)-3-[(2R)-2-(4-methyl-1-piperazin-4-iumyl)-2-thiophen-2-ylethyl]urea IUPAC Name: 1-(4-cyanophenyl)-3-[(2R)-2-(4-methylpiperazin-4-ium-1-yl)-2-thiophen-2-ylethyl]urea Traditional Name: 1-(4-cyanophenyl)-3-[(2R)-2-(4-methylpiperazin-4-ium-1-yl)-2-(2-thienyl)ethyl]urea Formula: C19H24N5OS+ MolecularWeight: 370.49176

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(CNC(=O)NC2=CC=C(C=C2)C#N)C3=CC=CS3

Isomeric SMILES

C[NH+]1CCN(CC1)[C@H](CNC(=O)NC2=CC=C(C=C2)C#N)C3=CC=CS3

InChI

InChI=1S/C19H23N5OS/c1-23-8-10-24(11-9-23)17(18-3-2-12-26-18)14-21-19(25)22-16-6-4-15(13-20)5-7-16/h2-7,12,17H,8-11,14H2,1H3,(H2,21,22,25)/p+1/t17-/m1/s1