2-[(5-chloranyl-2-methyl-phenyl)carbamothioyl-(thiophen-2-ylmethyl)amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(5-chloranyl-2-methyl-phenyl)carbamothioyl-(thiophen-2-ylmethyl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[(5-chloro-2-methyl-phenyl)carbamothioyl-(2-thienylmethyl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(5-chloro-2-methylanilino)-sulfanylidenemethyl]-(thiophen-2-ylmethyl)amino]ethyl-dimethylammonium IUPAC Name: 2-[(5-chloro-2-methylphenyl)carbamothioyl-(thiophen-2-ylmethyl)amino]ethyl-dimethylazanium Traditional Name: 2-[(5-chloro-2-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=C(C=C1)Cl)NC(=S)N(CC[NH+](C)C)CC2=CC=CS2

Isomeric SMILES

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

InChI

InChI=1S/C17H22ClN3S2/c1-13-6-7-14(18)11-16(13)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