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

Systemtic Name: 2-[(4-fluoranyl-2,3-dihydro-1H-inden-1-yl)carbamothioylamino]ethyl 2-propan-2-ylsulfanylbenzoate Openeye Name: 2-[(4-fluoroindan-1-yl)carbamothioylamino]ethyl 2-isopropylsulfanylbenzoate CAS Name: 2-(propan-2-ylthio)benzoic 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 2-propan-2-ylsulfanylbenzoate Traditional Name: 2-(isopropylthio)benzoic acid 2-[(4-fluoroindan-1-yl)thiocarbamoylamino]ethyl ester Formula: C22H25FN2O2S2 MolecularWeight: 432.574503

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=CC=CC=C1C(=O)OCCNC(=S)NC2CCC3=C2C=CC=C3F

Isomeric SMILES

CC(C)SC1=CC=CC=C1C(=O)OCCNC(=S)NC2CCC3=C2C=CC=C3F

InChI

InChI=1S/C22H25FN2O2S2/c1-14(2)29-20-9-4-3-6-17(20)21(26)27-13-12-24-22(28)25-19-11-10-15-16(19)7-5-8-18(15)23/h3-9,14,19H,10-13H2,1-2H3,(H2,24,25,28)