2-[(4-fluoranyl-2,3-dihydro-1H-inden-1-yl)carbamothioylamino]ethyl 3,5-dimethoxybenzoate

Systemtic Name: 2-[(4-fluoranyl-2,3-dihydro-1H-inden-1-yl)carbamothioylamino]ethyl 3,5-dimethoxybenzoate Openeye Name: 2-[(4-fluoroindan-1-yl)carbamothioylamino]ethyl 3,5-dimethoxybenzoate CAS Name: 3,5-dimethoxybenzoic acid 2-[[[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-sulfanylidenemethyl]amino]ethyl ester IUPAC Name: 2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)carbamothioylamino]ethyl 3,5-dimethoxybenzoate Traditional Name: 3,5-dimethoxybenzoic acid 2-[(4-fluoroindan-1-yl)thiocarbamoylamino]ethyl ester Formula: C21H23FN2O4S MolecularWeight: 418.481723

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C(=O)OCCNC(=S)NC2CCC3=C2C=CC=C3F)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C(=O)OCCNC(=S)NC2CCC3=C2C=CC=C3F)OC

InChI

InChI=1S/C21H23FN2O4S/c1-26-14-10-13(11-15(12-14)27-2)20(25)28-9-8-23-21(29)24-19-7-6-16-17(19)4-3-5-18(16)22/h3-5,10-12,19H,6-9H2,1-2H3,(H2,23,24,29)