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

Systemtic Name: 2-[(3-chloranyl-4-methyl-phenyl)carbamothioyl-(thiophen-2-ylmethyl)amino]ethyl-diethyl-azanium Openeye Name: 2-[(3-chloro-4-methyl-phenyl)carbamothioyl-(2-thienylmethyl)amino]ethyl-diethyl-ammonium CAS Name: 2-[[(3-chloro-4-methylanilino)-sulfanylidenemethyl]-(thiophen-2-ylmethyl)amino]ethyl-diethylammonium IUPAC Name: 2-[(3-chloro-4-methylphenyl)carbamothioyl-(thiophen-2-ylmethyl)amino]ethyl-diethylazanium Traditional Name: 2-[(3-chloro-4-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=CC(=C(C=C2)C)Cl

Isomeric SMILES

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

InChI

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