3-[[2-(dimethylamino)-5-piperidin-1-ylsulfonyl-phenyl]carbamothioylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[[2-(dimethylamino)-5-piperidin-1-ylsulfonyl-phenyl]carbamothioylamino]propyl-dimethyl-azanium Openeye Name: 3-[[2-(dimethylamino)-5-(1-piperidylsulfonyl)phenyl]carbamothioylamino]propyl-dimethyl-ammonium CAS Name: 3-[[[2-(dimethylamino)-5-(1-piperidinylsulfonyl)anilino]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]carbamothioylamino]propyl-dimethylazanium Traditional Name: 3-[[2-(dimethylamino)-5-piperidinosulfonyl-phenyl]thiocarbamoylamino]propyl-dimethyl-ammonium Formula: C19H34N5O2S2+ MolecularWeight: 428.63556

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC(=S)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)N(C)C

Isomeric SMILES

C[NH+](C)CCCNC(=S)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)N(C)C

InChI

InChI=1S/C19H33N5O2S2/c1-22(2)12-8-11-20-19(27)21-17-15-16(9-10-18(17)23(3)4)28(25,26)24-13-6-5-7-14-24/h9-10,15H,5-8,11-14H2,1-4H3,(H2,20,21,27)/p+1