1-[2-(4-chlorophenyl)sulfanylethyl]-3-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]thiourea

Systemtic Name: 1-[2-(4-chlorophenyl)sulfanylethyl]-3-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]thiourea Openeye Name: 1-[2-(4-chlorophenyl)sulfanylethyl]-3-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]thiourea CAS Name: 1-[2-[(4-chlorophenyl)thio]ethyl]-3-[[(2S)-1-ethyl-2-pyrrolidin-1-iumyl]methyl]thiourea IUPAC Name: 1-[2-(4-chlorophenyl)sulfanylethyl]-3-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]thiourea Traditional Name: 1-[2-[(4-chlorophenyl)thio]ethyl]-3-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]thiourea Formula: C16H25ClN3S2+ MolecularWeight: 358.9728

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC1CNC(=S)NCCSC2=CC=C(C=C2)Cl

Isomeric SMILES

CC[NH+]1CCC[C@H]1CNC(=S)NCCSC2=CC=C(C=C2)Cl

InChI

InChI=1S/C16H24ClN3S2/c1-2-20-10-3-4-14(20)12-19-16(21)18-9-11-22-15-7-5-13(17)6-8-15/h5-8,14H,2-4,9-12H2,1H3,(H2,18,19,21)/p+1/t14-/m0/s1