N-(2,3-dihydro-1H-inden-2-yl)-2-[(3-ethynylphenoxy)methyl]morpholine-4-carbothioamide

Systemtic Name: N-(2,3-dihydro-1H-inden-2-yl)-2-[(3-ethynylphenoxy)methyl]morpholine-4-carbothioamide Openeye Name: 2-[(3-ethynylphenoxy)methyl]-N-indan-2-yl-morpholine-4-carbothioamide CAS Name: N-(2,3-dihydro-1H-inden-2-yl)-2-[(3-ethynylphenoxy)methyl]-4-morpholinecarbothioamide IUPAC Name: N-(2,3-dihydro-1H-inden-2-yl)-2-[(3-ethynylphenoxy)methyl]morpholine-4-carbothioamide Traditional Name: 2-[(3-ethynylphenoxy)methyl]-N-indan-2-yl-morpholine-4-carbothioamide Formula: C23H24N2O2S MolecularWeight: 392.51386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC=C1)OCC2CN(CCO2)C(=S)NC3CC4=CC=CC=C4C3

Isomeric SMILES

C#CC1=CC(=CC=C1)OCC2CN(CCO2)C(=S)NC3CC4=CC=CC=C4C3

InChI

InChI=1S/C23H24N2O2S/c1-2-17-6-5-9-21(12-17)27-16-22-15-25(10-11-26-22)23(28)24-20-13-18-7-3-4-8-19(18)14-20/h1,3-9,12,20,22H,10-11,13-16H2,(H,24,28)