N-[4-[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl]phenyl]-9H-xanthene-9-carboxamide

Systemtic Name: N-[4-[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl]phenyl]-9H-xanthene-9-carboxamide Openeye Name: N-[4-[2-oxo-2-(2-thienylmethylamino)ethyl]phenyl]-9H-xanthene-9-carboxamide CAS Name: N-[4-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]phenyl]-9H-xanthene-9-carboxamide IUPAC Name: N-[4-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]phenyl]-9H-xanthene-9-carboxamide Traditional Name: N-[4-[2-keto-2-(2-thenylamino)ethyl]phenyl]-9H-xanthene-9-carboxamide Formula: C27H22N2O3S MolecularWeight: 454.54018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(C3=CC=CC=C3O2)C(=O)NC4=CC=C(C=C4)CC(=O)NCC5=CC=CS5

Isomeric SMILES

C1=CC=C2C(=C1)C(C3=CC=CC=C3O2)C(=O)NC4=CC=C(C=C4)CC(=O)NCC5=CC=CS5

InChI

InChI=1S/C27H22N2O3S/c30-25(28-17-20-6-5-15-33-20)16-18-11-13-19(14-12-18)29-27(31)26-21-7-1-3-9-23(21)32-24-10-4-2-8-22(24)26/h1-15,26H,16-17H2,(H,28,30)(H,29,31)