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

Systemtic Name: 1-[(1S,2S)-1-(4-ethylpiperazin-4-ium-1-yl)-1-thiophen-2-yl-propan-2-yl]-3-(2-methylphenyl)thiourea Openeye Name: 1-[(1S,2S)-2-(4-ethylpiperazin-4-ium-1-yl)-1-methyl-2-(2-thienyl)ethyl]-3-(o-tolyl)thiourea CAS Name: 1-[(1S,2S)-1-(4-ethyl-1-piperazin-4-iumyl)-1-thiophen-2-ylpropan-2-yl]-3-(2-methylphenyl)thiourea IUPAC Name: 1-[(1S,2S)-1-(4-ethylpiperazin-4-ium-1-yl)-1-thiophen-2-ylpropan-2-yl]-3-(2-methylphenyl)thiourea Traditional Name: 1-[(1S,2S)-2-(4-ethylpiperazin-4-ium-1-yl)-1-methyl-2-(2-thienyl)ethyl]-3-(o-tolyl)thiourea Formula: C21H31N4S2+ MolecularWeight: 403.62764

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(C2=CC=CS2)C(C)NC(=S)NC3=CC=CC=C3C

Isomeric SMILES

CC[NH+]1CCN(CC1)[C@H](C2=CC=CS2)[C@H](C)NC(=S)NC3=CC=CC=C3C

InChI

InChI=1S/C21H30N4S2/c1-4-24-11-13-25(14-12-24)20(19-10-7-15-27-19)17(3)22-21(26)23-18-9-6-5-8-16(18)2/h5-10,15,17,20H,4,11-14H2,1-3H3,(H2,22,23,26)/p+1/t17-,20-/m0/s1