2-[[[4-[(4-chloranylphenoxy)methyl]phenyl]carbonylamino]carbamothioylamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[[4-[(4-chloranylphenoxy)methyl]phenyl]carbonylamino]carbamothioylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[[4-[(4-chlorophenoxy)methyl]benzoyl]amino]carbamothioylamino]ethyl-dimethyl-ammonium CAS Name: 2-[[[[[4-[(4-chlorophenoxy)methyl]phenyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[[4-[(4-chlorophenoxy)methyl]benzoyl]amino]carbamothioylamino]ethyl-dimethylazanium Traditional Name: 2-[[[4-[(4-chlorophenoxy)methyl]benzoyl]amino]thiocarbamoylamino]ethyl-dimethyl-ammonium Formula: C19H24ClN4O2S+ MolecularWeight: 407.93746

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23ClN4O2S/c1-24(2)12-11-21-19(27)23-22-18(25)15-5-3-14(4-6-15)13-26-17-9-7-16(20)8-10-17/h3-10H,11-13H2,1-2H3,(H,22,25)(H2,21,23,27)/p+1