2-[(2-chloranyl-4,6-dimethyl-phenyl)carbamothioyl-(thiophen-2-ylmethyl)amino]ethyl-diethyl-azanium

Systemtic Name: 2-[(2-chloranyl-4,6-dimethyl-phenyl)carbamothioyl-(thiophen-2-ylmethyl)amino]ethyl-diethyl-azanium Openeye Name: 2-[(2-chloro-4,6-dimethyl-phenyl)carbamothioyl-(2-thienylmethyl)amino]ethyl-diethyl-ammonium CAS Name: 2-[[(2-chloro-4,6-dimethylanilino)-sulfanylidenemethyl]-(thiophen-2-ylmethyl)amino]ethyl-diethylammonium IUPAC Name: 2-[(2-chloro-4,6-dimethylphenyl)carbamothioyl-(thiophen-2-ylmethyl)amino]ethyl-diethylazanium Traditional Name: 2-[(2-chloro-4,6-dimethyl-phenyl)thiocarbamoyl-(2-thenyl)amino]ethyl-diethyl-ammonium Formula: C20H29ClN3S2+ MolecularWeight: 411.04736

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN(CC1=CC=CS1)C(=S)NC2=C(C=C(C=C2Cl)C)C

Isomeric SMILES

CC[NH+](CC)CCN(CC1=CC=CS1)C(=S)NC2=C(C=C(C=C2Cl)C)C

InChI

InChI=1S/C20H28ClN3S2/c1-5-23(6-2)9-10-24(14-17-8-7-11-26-17)20(25)22-19-16(4)12-15(3)13-18(19)21/h7-8,11-13H,5-6,9-10,14H2,1-4H3,(H,22,25)/p+1