3-[[3-[3-(dimethylazaniumyl)propylcarbamothioylamino]-4-methyl-phenyl]carbamothioylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[[3-[3-(dimethylazaniumyl)propylcarbamothioylamino]-4-methyl-phenyl]carbamothioylamino]propyl-dimethyl-azanium Openeye Name: 3-[[3-[3-(dimethylammonio)propylcarbamothioylamino]-4-methyl-phenyl]carbamothioylamino]propyl-dimethyl-ammonium CAS Name: 3-[[[3-[[[3-(dimethylammonio)propylamino]-sulfanylidenemethyl]amino]-4-methylanilino]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[3-[3-(dimethylazaniumyl)propylcarbamothioylamino]-4-methylphenyl]carbamothioylamino]propyl-dimethylazanium Traditional Name: 3-[[3-[3-(dimethylammonio)propylthiocarbamoylamino]-4-methyl-phenyl]thiocarbamoylamino]propyl-dimethyl-ammonium Formula: C19H36N6S2+2 MolecularWeight: 412.65934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)NCCC[NH+](C)C)NC(=S)NCCC[NH+](C)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)NCCC[NH+](C)C)NC(=S)NCCC[NH+](C)C

InChI

InChI=1S/C19H34N6S2/c1-15-8-9-16(22-18(26)20-10-6-12-24(2)3)14-17(15)23-19(27)21-11-7-13-25(4)5/h8-9,14H,6-7,10-13H2,1-5H3,(H2,20,22,26)(H2,21,23,27)/p+2