dimethyl-[2-[(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)carbamothioylamino]ethyl]azanium

Systemtic Name: dimethyl-[2-[(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)carbamothioylamino]ethyl]azanium Openeye Name: dimethyl-[2-[[2-methyl-5-(1-piperidylsulfonyl)phenyl]carbamothioylamino]ethyl]ammonium CAS Name: dimethyl-[2-[[[2-methyl-5-(1-piperidinylsulfonyl)anilino]-sulfanylidenemethyl]amino]ethyl]ammonium IUPAC Name: dimethyl-[2-[(2-methyl-5-piperidin-1-ylsulfonylphenyl)carbamothioylamino]ethyl]azanium Traditional Name: dimethyl-[2-[(2-methyl-5-piperidinosulfonyl-phenyl)thiocarbamoylamino]ethyl]ammonium Formula: C17H29N4O2S2+ MolecularWeight: 385.56776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=S)NCC[NH+](C)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=S)NCC[NH+](C)C

InChI

InChI=1S/C17H28N4O2S2/c1-14-7-8-15(25(22,23)21-10-5-4-6-11-21)13-16(14)19-17(24)18-9-12-20(2)3/h7-8,13H,4-6,9-12H2,1-3H3,(H2,18,19,24)/p+1