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

Systemtic Name: 2-[[[4-[(4-ethoxyphenoxy)methyl]phenyl]carbonylamino]carbamothioylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[[4-[(4-ethoxyphenoxy)methyl]benzoyl]amino]carbamothioylamino]ethyl-dimethyl-ammonium CAS Name: 2-[[[[[4-[(4-ethoxyphenoxy)methyl]phenyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[[4-[(4-ethoxyphenoxy)methyl]benzoyl]amino]carbamothioylamino]ethyl-dimethylazanium Traditional Name: 2-[[[4-[(4-ethoxyphenoxy)methyl]benzoyl]amino]thiocarbamoylamino]ethyl-dimethyl-ammonium Formula: C21H29N4O3S+ MolecularWeight: 417.54496

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)OCC2=CC=C(C=C2)C(=O)NNC(=S)NCC[NH+](C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)OCC2=CC=C(C=C2)C(=O)NNC(=S)NCC[NH+](C)C

InChI

InChI=1S/C21H28N4O3S/c1-4-27-18-9-11-19(12-10-18)28-15-16-5-7-17(8-6-16)20(26)23-24-21(29)22-13-14-25(2)3/h5-12H,4,13-15H2,1-3H3,(H,23,26)(H2,22,24,29)/p+1