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

Systemtic Name: 2-[(4-fluoranyl-2,3-dihydro-1H-inden-1-yl)carbamothioylamino]ethyl 4-tert-butylbenzoate Openeye Name: 2-[(4-fluoroindan-1-yl)carbamothioylamino]ethyl 4-tert-butylbenzoate CAS Name: 4-tert-butylbenzoic 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 4-tert-butylbenzoate Traditional Name: 4-tert-butylbenzoic acid 2-[(4-fluoroindan-1-yl)thiocarbamoylamino]ethyl ester Formula: C23H27FN2O2S MolecularWeight: 414.536083

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27FN2O2S/c1-23(2,3)16-9-7-15(8-10-16)21(27)28-14-13-25-22(29)26-20-12-11-17-18(20)5-4-6-19(17)24/h4-10,20H,11-14H2,1-3H3,(H2,25,26,29)