3,4,5-trimethoxy-N-[[(1S,2R)-1-pyrrolidin-1-ium-1-yl-1-thiophen-2-yl-propan-2-yl]carbamothioyl]benzamide

Systemtic Name: 3,4,5-trimethoxy-N-[[(1S,2R)-1-pyrrolidin-1-ium-1-yl-1-thiophen-2-yl-propan-2-yl]carbamothioyl]benzamide Openeye Name: 3,4,5-trimethoxy-N-[[(1R,2S)-1-methyl-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]carbamothioyl]benzamide CAS Name: 3,4,5-trimethoxy-N-[[[(1S,2R)-1-(1-pyrrolidin-1-iumyl)-1-thiophen-2-ylpropan-2-yl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: 3,4,5-trimethoxy-N-[[(1S,2R)-1-pyrrolidin-1-ium-1-yl-1-thiophen-2-ylpropan-2-yl]carbamothioyl]benzamide Traditional Name: 3,4,5-trimethoxy-N-[[(1R,2S)-1-methyl-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]thiocarbamoyl]benzamide Formula: C22H30N3O4S2+ MolecularWeight: 464.6213

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC=CS1)[NH+]2CCCC2)NC(=S)NC(=O)C3=CC(=C(C(=C3)OC)OC)OC

Isomeric SMILES

C[C@H]([C@@H](C1=CC=CS1)[NH+]2CCCC2)NC(=S)NC(=O)C3=CC(=C(C(=C3)OC)OC)OC

InChI

InChI=1S/C22H29N3O4S2/c1-14(19(18-8-7-11-31-18)25-9-5-6-10-25)23-22(30)24-21(26)15-12-16(27-2)20(29-4)17(13-15)28-3/h7-8,11-14,19H,5-6,9-10H2,1-4H3,(H2,23,24,26,30)/p+1/t14-,19+/m1/s1