N,N-dihexyl-2-(5-isothiocyanato-2-phenyl-1H-indol-3-yl)-2-oxidanylidene-ethanamide

Systemtic Name: N,N-dihexyl-2-(5-isothiocyanato-2-phenyl-1H-indol-3-yl)-2-oxidanylidene-ethanamide Openeye Name: N,N-dihexyl-2-(5-isothiocyanato-2-phenyl-1H-indol-3-yl)-2-oxo-acetamide CAS Name: N,N-dihexyl-2-(5-isothiocyanato-2-phenyl-1H-indol-3-yl)-2-oxoacetamide IUPAC Name: N,N-dihexyl-2-(5-isothiocyanato-2-phenyl-1H-indol-3-yl)-2-oxoacetamide Traditional Name: N,N-dihexyl-2-(5-isothiocyanato-2-phenyl-1H-indol-3-yl)-2-keto-acetamide Formula: C29H35N3O2S MolecularWeight: 489.6721

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(CCCCCC)C(=O)C(=O)C1=C(NC2=C1C=C(C=C2)N=C=S)C3=CC=CC=C3

Isomeric SMILES

CCCCCCN(CCCCCC)C(=O)C(=O)C1=C(NC2=C1C=C(C=C2)N=C=S)C3=CC=CC=C3

InChI

InChI=1S/C29H35N3O2S/c1-3-5-7-12-18-32(19-13-8-6-4-2)29(34)28(33)26-24-20-23(30-21-35)16-17-25(24)31-27(26)22-14-10-9-11-15-22/h9-11,14-17,20,31H,3-8,12-13,18-19H2,1-2H3