2-[[[4-[(4-chloranyl-3-methyl-phenoxy)methyl]phenyl]carbonylamino]carbamothioylamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[[4-[(4-chloranyl-3-methyl-phenoxy)methyl]phenyl]carbonylamino]carbamothioylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[[4-[(4-chloro-3-methyl-phenoxy)methyl]benzoyl]amino]carbamothioylamino]ethyl-dimethyl-ammonium CAS Name: 2-[[[[[4-[(4-chloro-3-methylphenoxy)methyl]phenyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[[4-[(4-chloro-3-methylphenoxy)methyl]benzoyl]amino]carbamothioylamino]ethyl-dimethylazanium Traditional Name: 2-[[[4-[(4-chloro-3-methyl-phenoxy)methyl]benzoyl]amino]thiocarbamoylamino]ethyl-dimethyl-ammonium Formula: C20H26ClN4O2S+ MolecularWeight: 421.96404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC2=CC=C(C=C2)C(=O)NNC(=S)NCC[NH+](C)C)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OCC2=CC=C(C=C2)C(=O)NNC(=S)NCC[NH+](C)C)Cl

InChI

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