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

Systemtic Name: bis(azanyl)methylidene-[4-[(4-propoxyphenyl)carbonylcarbamothioylamino]phenyl]sulfonyl-azanium Openeye Name: diaminomethylene-[4-[(4-propoxybenzoyl)carbamothioylamino]phenyl]sulfonyl-ammonium CAS Name: diaminomethylidene-[4-[[[[oxo-(4-propoxyphenyl)methyl]amino]-sulfanylidenemethyl]amino]phenyl]sulfonylammonium IUPAC Name: diaminomethylidene-[4-[(4-propoxybenzoyl)carbamothioylamino]phenyl]sulfonylazanium Traditional Name: diaminomethylene-[4-[(4-propoxybenzoyl)thiocarbamoylamino]phenyl]sulfonyl-ammonium Formula: C18H22N5O4S2+ MolecularWeight: 436.52838

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)[NH+]=C(N)N

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)[NH+]=C(N)N

InChI

InChI=1S/C18H21N5O4S2/c1-2-11-27-14-7-3-12(4-8-14)16(24)22-18(28)21-13-5-9-15(10-6-13)29(25,26)23-17(19)20/h3-10H,2,11H2,1H3,(H4,19,20,23)(H2,21,22,24,28)/p+1