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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=S)NC2CCC3=CC=CC=C23

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=S)NC2CCC3=CC=CC=C23

InChI

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