7-fluoranyl-4-[2-(3-indol-1-ylpropylamino)ethoxy]-2-oxidanylidene-1,3-dihydroindole-3-carbothialdehyde

Systemtic Name: 7-fluoranyl-4-[2-(3-indol-1-ylpropylamino)ethoxy]-2-oxidanylidene-1,3-dihydroindole-3-carbothialdehyde Openeye Name: 7-fluoro-4-[2-(3-indol-1-ylpropylamino)ethoxy]-2-oxo-indoline-3-carbothialdehyde CAS Name: 7-fluoro-4-[2-[3-(1-indolyl)propylamino]ethoxy]-2-oxo-1,3-dihydroindole-3-carbothioaldehyde IUPAC Name: 7-fluoro-4-[2-(3-indol-1-ylpropylamino)ethoxy]-2-oxo-1,3-dihydroindole-3-carbothialdehyde Traditional Name: 7-fluoro-4-[2-(3-indol-1-ylpropylamino)ethoxy]-2-keto-indoline-3-carbothialdehyde Formula: C22H22FN3O2S MolecularWeight: 411.492383

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CN2CCCNCCOC3=C4C(C(=O)NC4=C(C=C3)F)C=S

Isomeric SMILES

C1=CC=C2C(=C1)C=CN2CCCNCCOC3=C4C(C(=O)NC4=C(C=C3)F)C=S

InChI

InChI=1S/C22H22FN3O2S/c23-17-6-7-19(20-16(14-29)22(27)25-21(17)20)28-13-10-24-9-3-11-26-12-8-15-4-1-2-5-18(15)26/h1-2,4-8,12,14,16,24H,3,9-11,13H2,(H,25,27)