bis(azanyl)methylidene-[4-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]phenyl]sulfonyl-azanium

Systemtic Name: bis(azanyl)methylidene-[4-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]phenyl]sulfonyl-azanium Openeye Name: diaminomethylene-[4-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]phenyl]sulfonyl-ammonium CAS Name: diaminomethylidene-[4-[[[[(E)-1-oxo-3-phenylprop-2-enyl]amino]-sulfanylidenemethyl]amino]phenyl]sulfonylammonium IUPAC Name: diaminomethylidene-[4-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]phenyl]sulfonylazanium Traditional Name: diaminomethylene-[4-[[(E)-3-phenylacryloyl]thiocarbamoylamino]phenyl]sulfonyl-ammonium Formula: C17H18N5O3S2+ MolecularWeight: 404.48652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N5O3S2/c18-16(19)22-27(24,25)14-9-7-13(8-10-14)20-17(26)21-15(23)11-6-12-4-2-1-3-5-12/h1-11H,(H4,18,19,22)(H2,20,21,23,26)/p+1/b11-6+