2-[[2-chloranyl-4-[2-(dimethylazaniumyl)ethylcarbamothioylamino]phenyl]carbamothioylamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[2-chloranyl-4-[2-(dimethylazaniumyl)ethylcarbamothioylamino]phenyl]carbamothioylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[2-chloro-4-[2-(dimethylammonio)ethylcarbamothioylamino]phenyl]carbamothioylamino]ethyl-dimethyl-ammonium CAS Name: 2-[[[2-chloro-4-[[[2-(dimethylammonio)ethylamino]-sulfanylidenemethyl]amino]anilino]-sulfanylidenemethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[2-chloro-4-[2-(dimethylazaniumyl)ethylcarbamothioylamino]phenyl]carbamothioylamino]ethyl-dimethylazanium Traditional Name: 2-[[2-chloro-4-[2-(dimethylammonio)ethylthiocarbamoylamino]phenyl]thiocarbamoylamino]ethyl-dimethyl-ammonium Formula: C16H29ClN6S2+2 MolecularWeight: 405.02466

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNC(=S)NC1=CC(=C(C=C1)NC(=S)NCC[NH+](C)C)Cl

Isomeric SMILES

C[NH+](C)CCNC(=S)NC1=CC(=C(C=C1)NC(=S)NCC[NH+](C)C)Cl

InChI

InChI=1S/C16H27ClN6S2/c1-22(2)9-7-18-15(24)20-12-5-6-14(13(17)11-12)21-16(25)19-8-10-23(3)4/h5-6,11H,7-10H2,1-4H3,(H2,18,20,24)(H2,19,21,25)/p+2