2-(1,3-benzothiazol-2-yl)-4-[(3,4-dimethylphenyl)carbonylcarbamothioylamino]phenolate

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-4-[(3,4-dimethylphenyl)carbonylcarbamothioylamino]phenolate Openeye Name: 2-(1,3-benzothiazol-2-yl)-4-[(3,4-dimethylbenzoyl)carbamothioylamino]phenolate CAS Name: 2-(1,3-benzothiazol-2-yl)-4-[[[[(3,4-dimethylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]phenolate IUPAC Name: 2-(1,3-benzothiazol-2-yl)-4-[(3,4-dimethylbenzoyl)carbamothioylamino]phenolate Traditional Name: 2-(1,3-benzothiazol-2-yl)-4-[(3,4-dimethylbenzoyl)thiocarbamoylamino]phenolate Formula: C23H18N3O2S2- MolecularWeight: 432.53792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)[O-])C3=NC4=CC=CC=C4S3)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)[O-])C3=NC4=CC=CC=C4S3)C

InChI

InChI=1S/C23H19N3O2S2/c1-13-7-8-15(11-14(13)2)21(28)26-23(29)24-16-9-10-19(27)17(12-16)22-25-18-5-3-4-6-20(18)30-22/h3-12,27H,1-2H3,(H2,24,26,28,29)/p-1