2-[(4-chloranyl-2-methoxy-5-methyl-phenyl)carbamothioyl-(thiophen-2-ylmethyl)amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(4-chloranyl-2-methoxy-5-methyl-phenyl)carbamothioyl-(thiophen-2-ylmethyl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[(4-chloro-2-methoxy-5-methyl-phenyl)carbamothioyl-(2-thienylmethyl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(4-chloro-2-methoxy-5-methylanilino)-sulfanylidenemethyl]-(thiophen-2-ylmethyl)amino]ethyl-dimethylammonium IUPAC Name: 2-[(4-chloro-2-methoxy-5-methylphenyl)carbamothioyl-(thiophen-2-ylmethyl)amino]ethyl-dimethylazanium Traditional Name: 2-[(4-chloro-2-methoxy-5-methyl-phenyl)thiocarbamoyl-(2-thenyl)amino]ethyl-dimethyl-ammonium Formula: C18H25ClN3OS2+ MolecularWeight: 398.9936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)OC)NC(=S)N(CC[NH+](C)C)CC2=CC=CS2

Isomeric SMILES

CC1=CC(=C(C=C1Cl)OC)NC(=S)N(CC[NH+](C)C)CC2=CC=CS2

InChI

InChI=1S/C18H24ClN3OS2/c1-13-10-16(17(23-4)11-15(13)19)20-18(24)22(8-7-21(2)3)12-14-6-5-9-25-14/h5-6,9-11H,7-8,12H2,1-4H3,(H,20,24)/p+1