bis(azanyl)methylidene-[4-[[5-oxidanylidene-5-(3-phenylpropoxy)pentanoyl]carbamothioylamino]phenyl]sulfonyl-azanium

Systemtic Name: bis(azanyl)methylidene-[4-[[5-oxidanylidene-5-(3-phenylpropoxy)pentanoyl]carbamothioylamino]phenyl]sulfonyl-azanium Openeye Name: diaminomethylene-[4-[[5-oxo-5-(3-phenylpropoxy)pentanoyl]carbamothioylamino]phenyl]sulfonyl-ammonium CAS Name: diaminomethylidene-[4-[[[[1,5-dioxo-5-(3-phenylpropoxy)pentyl]amino]-sulfanylidenemethyl]amino]phenyl]sulfonylammonium IUPAC Name: diaminomethylidene-[4-[[5-oxo-5-(3-phenylpropoxy)pentanoyl]carbamothioylamino]phenyl]sulfonylazanium Traditional Name: diaminomethylene-[4-[[5-keto-5-(3-phenylpropoxy)pentanoyl]thiocarbamoylamino]phenyl]sulfonyl-ammonium Formula: C22H28N5O5S2+ MolecularWeight: 506.61822

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N5O5S2/c23-21(24)27-34(30,31)18-13-11-17(12-14-18)25-22(33)26-19(28)9-4-10-20(29)32-15-5-8-16-6-2-1-3-7-16/h1-3,6-7,11-14H,4-5,8-10,15H2,(H4,23,24,27)(H2,25,26,28,33)/p+1