methyl 4-[(2-oxidanyl-2,3-dihydro-1H-inden-1-yl)carbamothioylamino]benzoate

Systemtic Name: methyl 4-[(2-oxidanyl-2,3-dihydro-1H-inden-1-yl)carbamothioylamino]benzoate Openeye Name: methyl 4-[(2-hydroxyindan-1-yl)carbamothioylamino]benzoate CAS Name: 4-[[[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)carbamothioylamino]benzoate Traditional Name: 4-[(2-hydroxyindan-1-yl)thiocarbamoylamino]benzoic acid methyl ester Formula: C18H18N2O3S MolecularWeight: 342.41212

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=S)NC2C(CC3=CC=CC=C23)O

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=S)NC2C(CC3=CC=CC=C23)O

InChI

InChI=1S/C18H18N2O3S/c1-23-17(22)11-6-8-13(9-7-11)19-18(24)20-16-14-5-3-2-4-12(14)10-15(16)21/h2-9,15-16,21H,10H2,1H3,(H2,19,20,24)