4-[3-(2-azanyl-2-oxidanylidene-ethyl)-2-methylsulfanyl-1-(phenylmethyl)indol-5-yl]oxybutanamide

Systemtic Name: 4-[3-(2-azanyl-2-oxidanylidene-ethyl)-2-methylsulfanyl-1-(phenylmethyl)indol-5-yl]oxybutanamide Openeye Name: 4-[3-(2-amino-2-oxo-ethyl)-1-benzyl-2-methylsulfanyl-indol-5-yl]oxybutanamide CAS Name: 4-[[3-(2-amino-2-oxoethyl)-2-(methylthio)-1-(phenylmethyl)-5-indolyl]oxy]butanamide IUPAC Name: 4-[3-(2-amino-2-oxoethyl)-1-benzyl-2-methylsulfanylindol-5-yl]oxybutanamide Traditional Name: 4-[3-(2-amino-2-keto-ethyl)-1-benzyl-2-(methylthio)indol-5-yl]oxybutyramide Formula: C22H25N3O3S MolecularWeight: 411.5172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C2=C(N1CC3=CC=CC=C3)C=CC(=C2)OCCCC(=O)N)CC(=O)N

Isomeric SMILES

CSC1=C(C2=C(N1CC3=CC=CC=C3)C=CC(=C2)OCCCC(=O)N)CC(=O)N

InChI

InChI=1S/C22H25N3O3S/c1-29-22-18(13-21(24)27)17-12-16(28-11-5-8-20(23)26)9-10-19(17)25(22)14-15-6-3-2-4-7-15/h2-4,6-7,9-10,12H,5,8,11,13-14H2,1H3,(H2,23,26)(H2,24,27)