[[(4-nitrophenyl)carbamothioylamino]-phenyl-methylidene]-(phenylsulfonylmethyl)azanium

Systemtic Name: [[(4-nitrophenyl)carbamothioylamino]-phenyl-methylidene]-(phenylsulfonylmethyl)azanium Openeye Name: benzenesulfonylmethyl-[[(4-nitrophenyl)carbamothioylamino]-phenyl-methylene]ammonium CAS Name: benzenesulfonylmethyl-[[[(4-nitroanilino)-sulfanylidenemethyl]amino]-phenylmethylidene]ammonium IUPAC Name: benzenesulfonylmethyl-[[(4-nitrophenyl)carbamothioylamino]-phenylmethylidene]azanium Traditional Name: besylmethyl-[[(4-nitrophenyl)thiocarbamoylamino]-phenyl-methylene]ammonium Formula: C21H19N4O4S2+ MolecularWeight: 455.52996

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=[NH+]CS(=O)(=O)C2=CC=CC=C2)NC(=S)NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(=[NH+]CS(=O)(=O)C2=CC=CC=C2)NC(=S)NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H18N4O4S2/c26-25(27)18-13-11-17(12-14-18)23-21(30)24-20(16-7-3-1-4-8-16)22-15-31(28,29)19-9-5-2-6-10-19/h1-14H,15H2,(H2,22,23,24,30)/p+1