3-[[[4-[(4-chloranylphenoxy)methyl]phenyl]carbonylamino]carbamothioylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[[[4-[(4-chloranylphenoxy)methyl]phenyl]carbonylamino]carbamothioylamino]propyl-dimethyl-azanium Openeye Name: 3-[[[4-[(4-chlorophenoxy)methyl]benzoyl]amino]carbamothioylamino]propyl-dimethyl-ammonium CAS Name: 3-[[[[[4-[(4-chlorophenoxy)methyl]phenyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[[4-[(4-chlorophenoxy)methyl]benzoyl]amino]carbamothioylamino]propyl-dimethylazanium Traditional Name: 3-[[[4-[(4-chlorophenoxy)methyl]benzoyl]amino]thiocarbamoylamino]propyl-dimethyl-ammonium Formula: C20H26ClN4O2S+ MolecularWeight: 421.96404

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC(=S)NNC(=O)C1=CC=C(C=C1)COC2=CC=C(C=C2)Cl

Isomeric SMILES

C[NH+](C)CCCNC(=S)NNC(=O)C1=CC=C(C=C1)COC2=CC=C(C=C2)Cl

InChI

InChI=1S/C20H25ClN4O2S/c1-25(2)13-3-12-22-20(28)24-23-19(26)16-6-4-15(5-7-16)14-27-18-10-8-17(21)9-11-18/h4-11H,3,12-14H2,1-2H3,(H,23,26)(H2,22,24,28)/p+1