4-(1,3-benzodioxol-5-ylmethyl)-N-(4-morpholin-4-ylsulfonylphenyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(4-morpholin-4-ylsulfonylphenyl)piperazin-4-ium-1-carbothioamide Openeye Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(4-morpholinosulfonylphenyl)piperazin-4-ium-1-carbothioamide CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-[4-(4-morpholinylsulfonyl)phenyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(4-morpholin-4-ylsulfonylphenyl)piperazin-4-ium-1-carbothioamide Traditional Name: N-(4-morpholinosulfonylphenyl)-4-piperonyl-piperazin-4-ium-1-carbothioamide Formula: C23H29N4O5S2+ MolecularWeight: 505.63016

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=S)NC4=CC=C(C=C4)S(=O)(=O)N5CCOCC5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=S)NC4=CC=C(C=C4)S(=O)(=O)N5CCOCC5

InChI

InChI=1S/C23H28N4O5S2/c28-34(29,27-11-13-30-14-12-27)20-4-2-19(3-5-20)24-23(33)26-9-7-25(8-10-26)16-18-1-6-21-22(15-18)32-17-31-21/h1-6,15H,7-14,16-17H2,(H,24,33)/p+1