2-[(3-chloranyl-2-methyl-phenyl)carbamothioyl-(thiophen-2-ylmethyl)amino]ethyl-diethyl-azanium

Systemtic Name: 2-[(3-chloranyl-2-methyl-phenyl)carbamothioyl-(thiophen-2-ylmethyl)amino]ethyl-diethyl-azanium Openeye Name: 2-[(3-chloro-2-methyl-phenyl)carbamothioyl-(2-thienylmethyl)amino]ethyl-diethyl-ammonium CAS Name: 2-[[(3-chloro-2-methylanilino)-sulfanylidenemethyl]-(thiophen-2-ylmethyl)amino]ethyl-diethylammonium IUPAC Name: 2-[(3-chloro-2-methylphenyl)carbamothioyl-(thiophen-2-ylmethyl)amino]ethyl-diethylazanium Traditional Name: 2-[(3-chloro-2-methyl-phenyl)thiocarbamoyl-(2-thenyl)amino]ethyl-diethyl-ammonium Formula: C19H27ClN3S2+ MolecularWeight: 397.02078

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26ClN3S2/c1-4-22(5-2)11-12-23(14-16-8-7-13-25-16)19(24)21-18-10-6-9-17(20)15(18)3/h6-10,13H,4-5,11-12,14H2,1-3H3,(H,21,24)/p+1