N-[(2S)-2-(azepan-1-yl)-2-thiophen-2-yl-ethyl]-3,5-dimethyl-1-benzofuran-2-carboxamide

Systemtic Name: N-[(2S)-2-(azepan-1-yl)-2-thiophen-2-yl-ethyl]-3,5-dimethyl-1-benzofuran-2-carboxamide Openeye Name: N-[(2S)-2-(azepan-1-yl)-2-(2-thienyl)ethyl]-3,5-dimethyl-benzofuran-2-carboxamide CAS Name: N-[(2S)-2-(1-azepanyl)-2-thiophen-2-ylethyl]-3,5-dimethyl-2-benzofurancarboxamide IUPAC Name: N-[(2S)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]-3,5-dimethyl-1-benzofuran-2-carboxamide Traditional Name: N-[(2S)-2-(azepan-1-yl)-2-(2-thienyl)ethyl]-3,5-dimethyl-coumarilamide Formula: C23H28N2O2S MolecularWeight: 396.54562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(=C2C)C(=O)NCC(C3=CC=CS3)N4CCCCCC4

Isomeric SMILES

CC1=CC2=C(C=C1)OC(=C2C)C(=O)NC[C@@H](C3=CC=CS3)N4CCCCCC4

InChI

InChI=1S/C23H28N2O2S/c1-16-9-10-20-18(14-16)17(2)22(27-20)23(26)24-15-19(21-8-7-13-28-21)25-11-5-3-4-6-12-25/h7-10,13-14,19H,3-6,11-12,15H2,1-2H3,(H,24,26)/t19-/m0/s1