methyl 4-(2,3-dihydro-1H-inden-2-ylcarbamothioylamino)benzoate

Systemtic Name: methyl 4-(2,3-dihydro-1H-inden-2-ylcarbamothioylamino)benzoate Openeye Name: methyl 4-(indan-2-ylcarbamothioylamino)benzoate CAS Name: 4-[[(2,3-dihydro-1H-inden-2-ylamino)-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-(2,3-dihydro-1H-inden-2-ylcarbamothioylamino)benzoate Traditional Name: 4-(indan-2-ylthiocarbamoylamino)benzoic acid methyl ester Formula: C18H18N2O2S MolecularWeight: 326.41272

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=S)NC2CC3=CC=CC=C3C2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=S)NC2CC3=CC=CC=C3C2

InChI

InChI=1S/C18H18N2O2S/c1-22-17(21)12-6-8-15(9-7-12)19-18(23)20-16-10-13-4-2-3-5-14(13)11-16/h2-9,16H,10-11H2,1H3,(H2,19,20,23)