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

Systemtic Name: 3-[(4-methyl-2-oxidanylidene-chromen-7-yl)carbamothioylamino]benzoic acid Openeye Name: 3-[(4-methyl-2-oxo-chromen-7-yl)carbamothioylamino]benzoic acid CAS Name: 3-[[[(4-methyl-2-oxo-1-benzopyran-7-yl)amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 3-[(4-methyl-2-oxochromen-7-yl)carbamothioylamino]benzoic acid Traditional Name: 3-[(2-keto-4-methyl-chromen-7-yl)thiocarbamoylamino]benzoic acid Formula: C18H14N2O4S MolecularWeight: 354.37976

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)NC(=S)NC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)NC(=S)NC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C18H14N2O4S/c1-10-7-16(21)24-15-9-13(5-6-14(10)15)20-18(25)19-12-4-2-3-11(8-12)17(22)23/h2-9H,1H3,(H,22,23)(H2,19,20,25)