N-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-9H-xanthene-9-carboxamide

Systemtic Name: N-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-9H-xanthene-9-carboxamide Openeye Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-9H-xanthene-9-carboxamide CAS Name: N-[2-(1-azepanyl)-2-(3-thiophenyl)ethyl]-9H-xanthene-9-carboxamide IUPAC Name: N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-9H-xanthene-9-carboxamide Traditional Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-9H-xanthene-9-carboxamide Formula: C26H28N2O2S MolecularWeight: 432.57772

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(CNC(=O)C2C3=CC=CC=C3OC4=CC=CC=C24)C5=CSC=C5

Isomeric SMILES

C1CCCN(CC1)C(CNC(=O)C2C3=CC=CC=C3OC4=CC=CC=C24)C5=CSC=C5

InChI

InChI=1S/C26H28N2O2S/c29-26(25-20-9-3-5-11-23(20)30-24-12-6-4-10-21(24)25)27-17-22(19-13-16-31-18-19)28-14-7-1-2-8-15-28/h3-6,9-13,16,18,22,25H,1-2,7-8,14-15,17H2,(H,27,29)