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

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

Systemtic Name:2-(1,3-benzothiazol-2-yl)-4-[(3-methylphenyl)carbonylcarbamothioylamino]phenolate
Openeye Name:2-(1,3-benzothiazol-2-yl)-4-[(3-methylbenzoyl)carbamothioylamino]phenolate
CAS Name:2-(1,3-benzothiazol-2-yl)-4-[[[[(3-methylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]phenolate
IUPAC Name:2-(1,3-benzothiazol-2-yl)-4-[(3-methylbenzoyl)carbamothioylamino]phenolate
Traditional Name:2-(1,3-benzothiazol-2-yl)-4-(m-toluoylthiocarbamoylamino)phenolate
Formula: C22H16N3O2S2-
MolecularWeight: 418.51134
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C22H17N3O2S2/c1-13-5-4-6-14(11-13)20(27)25-22(28)23-15-9-10-18(26)16(12-15)21-24-17-7-2-3-8-19(17)29-21/h2-12,26H,1H3,(H2,23,25,27,28)/p-1


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