(4-chlorophenyl)sulfonyl-[[(2-methylphenyl)carbamothioylamino]-phenyl-methylidene]azanium

Systemtic Name: (4-chlorophenyl)sulfonyl-[[(2-methylphenyl)carbamothioylamino]-phenyl-methylidene]azanium Openeye Name: (4-chlorophenyl)sulfonyl-[(o-tolylcarbamothioylamino)-phenyl-methylene]ammonium CAS Name: (4-chlorophenyl)sulfonyl-[[[(2-methylanilino)-sulfanylidenemethyl]amino]-phenylmethylidene]ammonium IUPAC Name: (4-chlorophenyl)sulfonyl-[[(2-methylphenyl)carbamothioylamino]-phenylmethylidene]azanium Traditional Name: (4-chlorophenyl)sulfonyl-[(o-tolylthiocarbamoylamino)-phenyl-methylene]ammonium Formula: C21H19ClN3O2S2+ MolecularWeight: 444.97746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)NC(=[NH+]S(=O)(=O)C2=CC=C(C=C2)Cl)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC=C1NC(=S)NC(=[NH+]S(=O)(=O)C2=CC=C(C=C2)Cl)C3=CC=CC=C3

InChI

InChI=1S/C21H18ClN3O2S2/c1-15-7-5-6-10-19(15)23-21(28)24-20(16-8-3-2-4-9-16)25-29(26,27)18-13-11-17(22)12-14-18/h2-14H,1H3,(H2,23,24,25,28)/p+1