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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)NC(=S)NCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)NC(=S)NCC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C19H16N2O4S/c1-11-8-17(22)25-16-9-14(6-7-15(11)16)21-19(26)20-10-12-2-4-13(5-3-12)18(23)24/h2-9H,10H2,1H3,(H,23,24)(H2,20,21,26)