N-[4-[[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]carbamothioyl]phenyl]ethanamide

Systemtic Name: N-[4-[[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]carbamothioyl]phenyl]ethanamide Openeye Name: N-[4-[[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]carbamothioyl]phenyl]acetamide CAS Name: N-[4-[[[(2S)-2-(4-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]amino]-sulfanylidenemethyl]phenyl]acetamide IUPAC Name: N-[4-[[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]carbamothioyl]phenyl]acetamide Traditional Name: N-[4-[[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]thiocarbamoyl]phenyl]acetamide Formula: C22H28N3O2S+ MolecularWeight: 398.54162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C(=S)NCC(C2=CC=C(C=C2)OC)[NH+]3CCCC3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C(=S)NC[C@H](C2=CC=C(C=C2)OC)[NH+]3CCCC3

InChI

InChI=1S/C22H27N3O2S/c1-16(26)24-19-9-5-18(6-10-19)22(28)23-15-21(25-13-3-4-14-25)17-7-11-20(27-2)12-8-17/h5-12,21H,3-4,13-15H2,1-2H3,(H,23,28)(H,24,26)/p+1/t21-/m1/s1