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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)OCCNC(=S)NC2CCC3=C2C=CC=C3F

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)OCCNC(=S)NC2CCC3=C2C=CC=C3F

InChI

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