1-[(S)-3H-benzimidazol-5-yl(phenyl)methyl]-3-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]thiourea

Systemtic Name: 1-[(S)-3H-benzimidazol-5-yl(phenyl)methyl]-3-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]thiourea Openeye Name: 1-[(S)-3H-benzimidazol-5-yl(phenyl)methyl]-3-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]thiourea CAS Name: 1-[(S)-3H-benzimidazol-5-yl(phenyl)methyl]-3-[[(2S)-1-ethyl-2-pyrrolidin-1-iumyl]methyl]thiourea IUPAC Name: 1-[(S)-3H-benzimidazol-5-yl(phenyl)methyl]-3-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]thiourea Traditional Name: 1-[(S)-3H-benzimidazol-5-yl(phenyl)methyl]-3-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]thiourea Formula: C22H28N5S+ MolecularWeight: 394.55622

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC1CNC(=S)NC(C2=CC=CC=C2)C3=CC4=C(C=C3)N=CN4

Isomeric SMILES

CC[NH+]1CCC[C@H]1CNC(=S)N[C@@H](C2=CC=CC=C2)C3=CC4=C(C=C3)N=CN4

InChI

InChI=1S/C22H27N5S/c1-2-27-12-6-9-18(27)14-23-22(28)26-21(16-7-4-3-5-8-16)17-10-11-19-20(13-17)25-15-24-19/h3-5,7-8,10-11,13,15,18,21H,2,6,9,12,14H2,1H3,(H,24,25)(H2,23,26,28)/p+1/t18-,21-/m0/s1