[[(diphenylamino)carbamothioylamino]-phenyl-methylidene]-[(4-methylphenyl)sulfonylmethyl]azanium

Systemtic Name: [[(diphenylamino)carbamothioylamino]-phenyl-methylidene]-[(4-methylphenyl)sulfonylmethyl]azanium Openeye Name: [phenyl-[(N-phenylanilino)carbamothioylamino]methylene]-(p-tolylsulfonylmethyl)ammonium CAS Name: [[[(2,2-diphenylhydrazinyl)-sulfanylidenemethyl]amino]-phenylmethylidene]-[(4-methylphenyl)sulfonylmethyl]ammonium IUPAC Name: (4-methylphenyl)sulfonylmethyl-[phenyl-[(N-phenylanilino)carbamothioylamino]methylidene]azanium Traditional Name: [phenyl-[(N-phenylanilino)thiocarbamoylamino]methylene]-(tosylmethyl)ammonium Formula: C28H27N4O2S2+ MolecularWeight: 515.66958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C[NH+]=C(C2=CC=CC=C2)NC(=S)NN(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C[NH+]=C(C2=CC=CC=C2)NC(=S)NN(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C28H26N4O2S2/c1-22-17-19-26(20-18-22)36(33,34)21-29-27(23-11-5-2-6-12-23)30-28(35)31-32(24-13-7-3-8-14-24)25-15-9-4-10-16-25/h2-20H,21H2,1H3,(H2,29,30,31,35)/p+1