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

Systemtic Name: 2-[(3-chloranyl-4-methoxy-phenyl)carbamothioyl-(thiophen-2-ylmethyl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[(3-chloro-4-methoxy-phenyl)carbamothioyl-(2-thienylmethyl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(3-chloro-4-methoxyanilino)-sulfanylidenemethyl]-(thiophen-2-ylmethyl)amino]ethyl-dimethylammonium IUPAC Name: 2-[(3-chloro-4-methoxyphenyl)carbamothioyl-(thiophen-2-ylmethyl)amino]ethyl-dimethylazanium Traditional Name: 2-[(3-chloro-4-methoxy-phenyl)thiocarbamoyl-(2-thenyl)amino]ethyl-dimethyl-ammonium Formula: C17H23ClN3OS2+ MolecularWeight: 384.96702

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN(CC1=CC=CS1)C(=S)NC2=CC(=C(C=C2)OC)Cl

Isomeric SMILES

C[NH+](C)CCN(CC1=CC=CS1)C(=S)NC2=CC(=C(C=C2)OC)Cl

InChI

InChI=1S/C17H22ClN3OS2/c1-20(2)8-9-21(12-14-5-4-10-24-14)17(23)19-13-6-7-16(22-3)15(18)11-13/h4-7,10-11H,8-9,12H2,1-3H3,(H,19,23)/p+1