[4-[(phenylcarbamothioylamino)carbamothioylamino]phenyl]sulfonyl-pyrimidin-2-yl-azanide

Systemtic Name: [4-[(phenylcarbamothioylamino)carbamothioylamino]phenyl]sulfonyl-pyrimidin-2-yl-azanide Openeye Name: [4-[(phenylcarbamothioylamino)carbamothioylamino]phenyl]sulfonyl-pyrimidin-2-yl-azanide CAS Name: [4-[[[[anilino(sulfanylidene)methyl]hydrazo]-sulfanylidenemethyl]amino]phenyl]sulfonyl-(2-pyrimidinyl)azanide IUPAC Name: [4-[(phenylcarbamothioylamino)carbamothioylamino]phenyl]sulfonyl-pyrimidin-2-ylazanide Traditional Name: [4-[(phenylthiocarbamoylamino)thiocarbamoylamino]phenyl]sulfonyl-(2-pyrimidyl)azanide Formula: C18H16N7O2S3- MolecularWeight: 458.56034

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=S)NNC(=S)NC2=CC=C(C=C2)S(=O)(=O)[N-]C3=NC=CC=N3

Isomeric SMILES

C1=CC=C(C=C1)NC(=S)NNC(=S)NC2=CC=C(C=C2)S(=O)(=O)[N-]C3=NC=CC=N3

InChI

InChI=1S/C18H17N7O2S3/c26-30(27,25-16-19-11-4-12-20-16)15-9-7-14(8-10-15)22-18(29)24-23-17(28)21-13-5-2-1-3-6-13/h1-12H,(H5,19,20,21,22,23,24,25,28,29)/p-1