2-(1,3-benzothiazol-2-yl)-4-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]phenolate

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-4-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]phenolate Openeye Name: 2-(1,3-benzothiazol-2-yl)-4-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]phenolate CAS Name: 2-(1,3-benzothiazol-2-yl)-4-[[[[(E)-1-oxo-3-phenylprop-2-enyl]amino]-sulfanylidenemethyl]amino]phenolate IUPAC Name: 2-(1,3-benzothiazol-2-yl)-4-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]phenolate Traditional Name: 2-(1,3-benzothiazol-2-yl)-4-[[(E)-3-phenylacryloyl]thiocarbamoylamino]phenolate Formula: C23H16N3O2S2- MolecularWeight: 430.52204

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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)[O-])C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1=CC=C(C=C1)/C=C/C(=O)NC(=S)NC2=CC(=C(C=C2)[O-])C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C23H17N3O2S2/c27-19-12-11-16(14-17(19)22-25-18-8-4-5-9-20(18)30-22)24-23(29)26-21(28)13-10-15-6-2-1-3-7-15/h1-14,27H,(H2,24,26,28,29)/p-1/b13-10+