bis(azanyl)methylidene-[4-[(4-oxidanylidene-4-phenethyloxy-butanoyl)carbamothioylamino]phenyl]sulfonyl-azanium

Systemtic Name: bis(azanyl)methylidene-[4-[(4-oxidanylidene-4-phenethyloxy-butanoyl)carbamothioylamino]phenyl]sulfonyl-azanium Openeye Name: diaminomethylene-[4-[(4-oxo-4-phenethyloxy-butanoyl)carbamothioylamino]phenyl]sulfonyl-ammonium CAS Name: diaminomethylidene-[4-[[[(1,4-dioxo-4-phenethyloxybutyl)amino]-sulfanylidenemethyl]amino]phenyl]sulfonylammonium IUPAC Name: diaminomethylidene-[4-[(4-oxo-4-phenethyloxybutanoyl)carbamothioylamino]phenyl]sulfonylazanium Traditional Name: diaminomethylene-[4-[(4-keto-4-phenethyloxy-butanoyl)thiocarbamoylamino]phenyl]sulfonyl-ammonium Formula: C20H24N5O5S2+ MolecularWeight: 478.56506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N5O5S2/c21-19(22)25-32(28,29)16-8-6-15(7-9-16)23-20(31)24-17(26)10-11-18(27)30-13-12-14-4-2-1-3-5-14/h1-9H,10-13H2,(H4,21,22,25)(H2,23,24,26,31)/p+1