bis(azanyl)methylidene-[4-[2-(4-chlorophenyl)ethanoylcarbamothioylamino]phenyl]sulfonyl-azanium

Systemtic Name: bis(azanyl)methylidene-[4-[2-(4-chlorophenyl)ethanoylcarbamothioylamino]phenyl]sulfonyl-azanium Openeye Name: [4-[[2-(4-chlorophenyl)acetyl]carbamothioylamino]phenyl]sulfonyl-(diaminomethylene)ammonium CAS Name: [4-[[[[2-(4-chlorophenyl)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]phenyl]sulfonyl-(diaminomethylidene)ammonium IUPAC Name: [4-[[2-(4-chlorophenyl)acetyl]carbamothioylamino]phenyl]sulfonyl-(diaminomethylidene)azanium Traditional Name: [4-[[2-(4-chlorophenyl)acetyl]thiocarbamoylamino]phenyl]sulfonyl-(diaminomethylene)ammonium Formula: C16H17ClN5O3S2+ MolecularWeight: 426.92088

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)[NH+]=C(N)N)Cl

Isomeric SMILES

C1=CC(=CC=C1CC(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)[NH+]=C(N)N)Cl

InChI

InChI=1S/C16H16ClN5O3S2/c17-11-3-1-10(2-4-11)9-14(23)21-16(26)20-12-5-7-13(8-6-12)27(24,25)22-15(18)19/h1-8H,9H2,(H4,18,19,22)(H2,20,21,23,26)/p+1