N-(4-morpholin-4-ylsulfonylphenyl)-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-carbothioamide

Systemtic Name: N-(4-morpholin-4-ylsulfonylphenyl)-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-carbothioamide Openeye Name: 4-[(E)-cinnamyl]-N-(4-morpholinosulfonylphenyl)piperazin-4-ium-1-carbothioamide CAS Name: N-[4-(4-morpholinylsulfonyl)phenyl]-4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: N-(4-morpholin-4-ylsulfonylphenyl)-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-carbothioamide Traditional Name: 4-[(E)-cinnamyl]-N-(4-morpholinosulfonylphenyl)piperazin-4-ium-1-carbothioamide Formula: C24H31N4O3S2+ MolecularWeight: 487.65794

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30N4O3S2/c29-33(30,28-17-19-31-20-18-28)23-10-8-22(9-11-23)25-24(32)27-15-13-26(14-16-27)12-4-7-21-5-2-1-3-6-21/h1-11H,12-20H2,(H,25,32)/p+1/b7-4+