3-[3-(dimethylazaniumyl)propyl-[(4-morpholin-4-ylsulfonylphenyl)carbamothioyl]amino]propyl-dimethyl-azanium

Systemtic Name: 3-[3-(dimethylazaniumyl)propyl-[(4-morpholin-4-ylsulfonylphenyl)carbamothioyl]amino]propyl-dimethyl-azanium Openeye Name: 3-[3-(dimethylammonio)propyl-[(4-morpholinosulfonylphenyl)carbamothioyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[3-(dimethylammonio)propyl-[[4-(4-morpholinylsulfonyl)anilino]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[3-(dimethylazaniumyl)propyl-[(4-morpholin-4-ylsulfonylphenyl)carbamothioyl]amino]propyl-dimethylazanium Traditional Name: 3-[3-(dimethylammonio)propyl-[(4-morpholinosulfonylphenyl)thiocarbamoyl]amino]propyl-dimethyl-ammonium Formula: C21H39N5O3S2+2 MolecularWeight: 473.69606

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN(CCC[NH+](C)C)C(=S)NC1=CC=C(C=C1)S(=O)(=O)N2CCOCC2

Isomeric SMILES

C[NH+](C)CCCN(CCC[NH+](C)C)C(=S)NC1=CC=C(C=C1)S(=O)(=O)N2CCOCC2

InChI

InChI=1S/C21H37N5O3S2/c1-23(2)11-5-13-25(14-6-12-24(3)4)21(30)22-19-7-9-20(10-8-19)31(27,28)26-15-17-29-18-16-26/h7-10H,5-6,11-18H2,1-4H3,(H,22,30)/p+2