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

Systemtic Name: bis(azanyl)methylidene-[4-(2-methylpropanoylcarbamothioylamino)phenyl]sulfonyl-azanium Openeye Name: diaminomethylene-[4-(2-methylpropanoylcarbamothioylamino)phenyl]sulfonyl-ammonium CAS Name: diaminomethylidene-[4-[[[(2-methyl-1-oxopropyl)amino]-sulfanylidenemethyl]amino]phenyl]sulfonylammonium IUPAC Name: diaminomethylidene-[4-(2-methylpropanoylcarbamothioylamino)phenyl]sulfonylazanium Traditional Name: diaminomethylene-[4-(isobutyrylthiocarbamoylamino)phenyl]sulfonyl-ammonium Formula: C12H18N5O3S2+ MolecularWeight: 344.43302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17N5O3S2/c1-7(2)10(18)16-12(21)15-8-3-5-9(6-4-8)22(19,20)17-11(13)14/h3-7H,1-2H3,(H4,13,14,17)(H2,15,16,18,21)/p+1