1-[(1S,2S)-1-(4-ethylpiperazin-4-ium-1-yl)-1-thiophen-2-yl-propan-2-yl]-3-(3-methylphenyl)urea

Systemtic Name: 1-[(1S,2S)-1-(4-ethylpiperazin-4-ium-1-yl)-1-thiophen-2-yl-propan-2-yl]-3-(3-methylphenyl)urea Openeye Name: 1-[(1S,2S)-2-(4-ethylpiperazin-4-ium-1-yl)-1-methyl-2-(2-thienyl)ethyl]-3-(m-tolyl)urea CAS Name: 1-[(1S,2S)-1-(4-ethyl-1-piperazin-4-iumyl)-1-thiophen-2-ylpropan-2-yl]-3-(3-methylphenyl)urea IUPAC Name: 1-[(1S,2S)-1-(4-ethylpiperazin-4-ium-1-yl)-1-thiophen-2-ylpropan-2-yl]-3-(3-methylphenyl)urea Traditional Name: 1-[(1S,2S)-2-(4-ethylpiperazin-4-ium-1-yl)-1-methyl-2-(2-thienyl)ethyl]-3-(m-tolyl)urea Formula: C21H31N4OS+ MolecularWeight: 387.56204

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(C2=CC=CS2)C(C)NC(=O)NC3=CC=CC(=C3)C

Isomeric SMILES

CC[NH+]1CCN(CC1)[C@H](C2=CC=CS2)[C@H](C)NC(=O)NC3=CC=CC(=C3)C

InChI

InChI=1S/C21H30N4OS/c1-4-24-10-12-25(13-11-24)20(19-9-6-14-27-19)17(3)22-21(26)23-18-8-5-7-16(2)15-18/h5-9,14-15,17,20H,4,10-13H2,1-3H3,(H2,22,23,26)/p+1/t17-,20-/m0/s1