3-[[2-chloranyl-4-[3-(dimethylazaniumyl)propylcarbamothioylamino]phenyl]carbamothioylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[[2-chloranyl-4-[3-(dimethylazaniumyl)propylcarbamothioylamino]phenyl]carbamothioylamino]propyl-dimethyl-azanium Openeye Name: 3-[[2-chloro-4-[3-(dimethylammonio)propylcarbamothioylamino]phenyl]carbamothioylamino]propyl-dimethyl-ammonium CAS Name: 3-[[[2-chloro-4-[[[3-(dimethylammonio)propylamino]-sulfanylidenemethyl]amino]anilino]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[2-chloro-4-[3-(dimethylazaniumyl)propylcarbamothioylamino]phenyl]carbamothioylamino]propyl-dimethylazanium Traditional Name: 3-[[2-chloro-4-[3-(dimethylammonio)propylthiocarbamoylamino]phenyl]thiocarbamoylamino]propyl-dimethyl-ammonium Formula: C18H33ClN6S2+2 MolecularWeight: 433.07782

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC(=S)NC1=CC(=C(C=C1)NC(=S)NCCC[NH+](C)C)Cl

Isomeric SMILES

C[NH+](C)CCCNC(=S)NC1=CC(=C(C=C1)NC(=S)NCCC[NH+](C)C)Cl

InChI

InChI=1S/C18H31ClN6S2/c1-24(2)11-5-9-20-17(26)22-14-7-8-16(15(19)13-14)23-18(27)21-10-6-12-25(3)4/h7-8,13H,5-6,9-12H2,1-4H3,(H2,20,22,26)(H2,21,23,27)/p+2