N-(4-morpholin-4-ylsulfonylphenyl)-4-(phenylmethyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: N-(4-morpholin-4-ylsulfonylphenyl)-4-(phenylmethyl)piperazin-4-ium-1-carbothioamide Openeye Name: 4-benzyl-N-(4-morpholinosulfonylphenyl)piperazin-4-ium-1-carbothioamide CAS Name: N-[4-(4-morpholinylsulfonyl)phenyl]-4-(phenylmethyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-benzyl-N-(4-morpholin-4-ylsulfonylphenyl)piperazin-4-ium-1-carbothioamide Traditional Name: 4-benzyl-N-(4-morpholinosulfonylphenyl)piperazin-4-ium-1-carbothioamide Formula: C22H29N4O3S2+ MolecularWeight: 461.62066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=S)NC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=S)NC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C22H28N4O3S2/c27-31(28,26-14-16-29-17-15-26)21-8-6-20(7-9-21)23-22(30)25-12-10-24(11-13-25)18-19-4-2-1-3-5-19/h1-9H,10-18H2,(H,23,30)/p+1