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

Systemtic Name: 2-[(2-chloranyl-4,6-dimethyl-phenyl)carbamothioyl-(phenylmethyl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[benzyl-[(2-chloro-4,6-dimethyl-phenyl)carbamothioyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(2-chloro-4,6-dimethylanilino)-sulfanylidenemethyl]-(phenylmethyl)amino]ethyl-dimethylammonium IUPAC Name: 2-[benzyl-[(2-chloro-4,6-dimethylphenyl)carbamothioyl]amino]ethyl-dimethylazanium Traditional Name: 2-[benzyl-[(2-chloro-4,6-dimethyl-phenyl)thiocarbamoyl]amino]ethyl-dimethyl-ammonium Formula: C20H27ClN3S+ MolecularWeight: 376.96648

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Cl)NC(=S)N(CC[NH+](C)C)CC2=CC=CC=C2)C

Isomeric SMILES

CC1=CC(=C(C(=C1)Cl)NC(=S)N(CC[NH+](C)C)CC2=CC=CC=C2)C

InChI

InChI=1S/C20H26ClN3S/c1-15-12-16(2)19(18(21)13-15)22-20(25)24(11-10-23(3)4)14-17-8-6-5-7-9-17/h5-9,12-13H,10-11,14H2,1-4H3,(H,22,25)/p+1