bis(azanyl)methylidene-[4-(hexanoylcarbamothioylamino)phenyl]sulfonyl-azanium

Systemtic Name: bis(azanyl)methylidene-[4-(hexanoylcarbamothioylamino)phenyl]sulfonyl-azanium Openeye Name: diaminomethylene-[4-(hexanoylcarbamothioylamino)phenyl]sulfonyl-ammonium CAS Name: diaminomethylidene-[4-[[(1-oxohexylamino)-sulfanylidenemethyl]amino]phenyl]sulfonylammonium IUPAC Name: diaminomethylidene-[4-(hexanoylcarbamothioylamino)phenyl]sulfonylazanium Traditional Name: [4-(caproylthiocarbamoylamino)phenyl]sulfonyl-(diaminomethylene)ammonium Formula: C14H22N5O3S2+ MolecularWeight: 372.48618

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC(=S)NC1=CC=C(C=C1)S(=O)(=O)[NH+]=C(N)N

Isomeric SMILES

CCCCCC(=O)NC(=S)NC1=CC=C(C=C1)S(=O)(=O)[NH+]=C(N)N

InChI

InChI=1S/C14H21N5O3S2/c1-2-3-4-5-12(20)18-14(23)17-10-6-8-11(9-7-10)24(21,22)19-13(15)16/h6-9H,2-5H2,1H3,(H4,15,16,19)(H2,17,18,20,23)/p+1