bis(azanyl)methylidene-[4-(3-methylbutanoylcarbamothioylamino)phenyl]sulfonyl-azanium

Systemtic Name: bis(azanyl)methylidene-[4-(3-methylbutanoylcarbamothioylamino)phenyl]sulfonyl-azanium Openeye Name: diaminomethylene-[4-(3-methylbutanoylcarbamothioylamino)phenyl]sulfonyl-ammonium CAS Name: diaminomethylidene-[4-[[[(3-methyl-1-oxobutyl)amino]-sulfanylidenemethyl]amino]phenyl]sulfonylammonium IUPAC Name: diaminomethylidene-[4-(3-methylbutanoylcarbamothioylamino)phenyl]sulfonylazanium Traditional Name: diaminomethylene-[4-(isovalerylthiocarbamoylamino)phenyl]sulfonyl-ammonium Formula: C13H20N5O3S2+ MolecularWeight: 358.4596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19N5O3S2/c1-8(2)7-11(19)17-13(22)16-9-3-5-10(6-4-9)23(20,21)18-12(14)15/h3-6,8H,7H2,1-2H3,(H4,14,15,18)(H2,16,17,19,22)/p+1