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

Systemtic Name: 2-[(4-chloranyl-3-methyl-phenyl)carbamothioyl-(thiophen-2-ylmethyl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[(4-chloro-3-methyl-phenyl)carbamothioyl-(2-thienylmethyl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(4-chloro-3-methylanilino)-sulfanylidenemethyl]-(thiophen-2-ylmethyl)amino]ethyl-dimethylammonium IUPAC Name: 2-[(4-chloro-3-methylphenyl)carbamothioyl-(thiophen-2-ylmethyl)amino]ethyl-dimethylazanium Traditional Name: 2-[(4-chloro-3-methyl-phenyl)thiocarbamoyl-(2-thenyl)amino]ethyl-dimethyl-ammonium Formula: C17H23ClN3S2+ MolecularWeight: 368.96762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=S)N(CC[NH+](C)C)CC2=CC=CS2)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=S)N(CC[NH+](C)C)CC2=CC=CS2)Cl

InChI

InChI=1S/C17H22ClN3S2/c1-13-11-14(6-7-16(13)18)19-17(22)21(9-8-20(2)3)12-15-5-4-10-23-15/h4-7,10-11H,8-9,12H2,1-3H3,(H,19,22)/p+1