2-(1,3-benzothiazol-2-yl)-4-(thiophen-2-ylcarbonylcarbamothioylamino)phenolate

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-4-(thiophen-2-ylcarbonylcarbamothioylamino)phenolate Openeye Name: 2-(1,3-benzothiazol-2-yl)-4-(thiophene-2-carbonylcarbamothioylamino)phenolate CAS Name: 2-(1,3-benzothiazol-2-yl)-4-[[[[oxo(thiophen-2-yl)methyl]amino]-sulfanylidenemethyl]amino]phenolate IUPAC Name: 2-(1,3-benzothiazol-2-yl)-4-(thiophene-2-carbonylcarbamothioylamino)phenolate Traditional Name: 2-(1,3-benzothiazol-2-yl)-4-(2-thenoylthiocarbamoylamino)phenolate Formula: C19H12N3O2S3- MolecularWeight: 410.51248

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C3=C(C=CC(=C3)NC(=S)NC(=O)C4=CC=CS4)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C3=C(C=CC(=C3)NC(=S)NC(=O)C4=CC=CS4)[O-]

InChI

InChI=1S/C19H13N3O2S3/c23-14-8-7-11(20-19(25)22-17(24)16-6-3-9-26-16)10-12(14)18-21-13-4-1-2-5-15(13)27-18/h1-10,23H,(H2,20,22,24,25)/p-1