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

Systemtic Name: N-(4-morpholin-4-ylsulfonylphenyl)-4-phenethyl-piperazin-4-ium-1-carbothioamide Openeye Name: N-(4-morpholinosulfonylphenyl)-4-phenethyl-piperazin-4-ium-1-carbothioamide CAS Name: N-[4-(4-morpholinylsulfonyl)phenyl]-4-phenethyl-1-piperazin-4-iumcarbothioamide IUPAC Name: N-(4-morpholin-4-ylsulfonylphenyl)-4-phenethylpiperazin-4-ium-1-carbothioamide Traditional Name: N-(4-morpholinosulfonylphenyl)-4-phenethyl-piperazin-4-ium-1-carbothioamide Formula: C23H31N4O3S2+ MolecularWeight: 475.64724

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC2=CC=CC=C2)C(=S)NC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

C1CN(CC[NH+]1CCC2=CC=CC=C2)C(=S)NC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C23H30N4O3S2/c28-32(29,27-16-18-30-19-17-27)22-8-6-21(7-9-22)24-23(31)26-14-12-25(13-15-26)11-10-20-4-2-1-3-5-20/h1-9H,10-19H2,(H,24,31)/p+1