2-[[(3-chloranyl-4-methoxy-phenyl)-[(4-ethoxyphenyl)methyl]carbamothioyl]amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[(3-chloranyl-4-methoxy-phenyl)-[(4-ethoxyphenyl)methyl]carbamothioyl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[[(3-chloro-4-methoxy-phenyl)-[(4-ethoxyphenyl)methyl]carbamothioyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[3-chloro-N-[(4-ethoxyphenyl)methyl]-4-methoxyanilino]-sulfanylidenemethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[(3-chloro-4-methoxyphenyl)-[(4-ethoxyphenyl)methyl]carbamothioyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[(3-chloro-4-methoxy-phenyl)-(4-ethoxybenzyl)thiocarbamoyl]amino]ethyl-dimethyl-ammonium Formula: C21H29ClN3O2S+ MolecularWeight: 422.99186

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CN(C2=CC(=C(C=C2)OC)Cl)C(=S)NCC[NH+](C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)CN(C2=CC(=C(C=C2)OC)Cl)C(=S)NCC[NH+](C)C

InChI

InChI=1S/C21H28ClN3O2S/c1-5-27-18-9-6-16(7-10-18)15-25(21(28)23-12-13-24(2)3)17-8-11-20(26-4)19(22)14-17/h6-11,14H,5,12-13,15H2,1-4H3,(H,23,28)/p+1