4-methyl-3-[(4-methyl-2-oxidanylidene-chromen-7-yl)carbamothioylamino]benzoic acid

Systemtic Name: 4-methyl-3-[(4-methyl-2-oxidanylidene-chromen-7-yl)carbamothioylamino]benzoic acid Openeye Name: 4-methyl-3-[(4-methyl-2-oxo-chromen-7-yl)carbamothioylamino]benzoic acid CAS Name: 4-methyl-3-[[[(4-methyl-2-oxo-1-benzopyran-7-yl)amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 4-methyl-3-[(4-methyl-2-oxochromen-7-yl)carbamothioylamino]benzoic acid Traditional Name: 3-[(2-keto-4-methyl-chromen-7-yl)thiocarbamoylamino]-4-methyl-benzoic acid Formula: C19H16N2O4S MolecularWeight: 368.40634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC(=S)NC2=CC3=C(C=C2)C(=CC(=O)O3)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC(=S)NC2=CC3=C(C=C2)C(=CC(=O)O3)C

InChI

InChI=1S/C19H16N2O4S/c1-10-3-4-12(18(23)24)8-15(10)21-19(26)20-13-5-6-14-11(2)7-17(22)25-16(14)9-13/h3-9H,1-2H3,(H,23,24)(H2,20,21,26)