3-methoxy-N-[3-(2-oxidanylideneazepan-1-yl)propyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide

Systemtic Name: 3-methoxy-N-[3-(2-oxidanylideneazepan-1-yl)propyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide Openeye Name: 3-methoxy-N-[3-(2-oxoazepan-1-yl)propyl]-4-(thiazol-4-ylmethoxy)benzamide CAS Name: 3-methoxy-N-[3-(2-oxo-1-azepanyl)propyl]-4-(4-thiazolylmethoxy)benzamide IUPAC Name: 3-methoxy-N-[3-(2-oxoazepan-1-yl)propyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide Traditional Name: N-[3-(2-ketoazepan-1-yl)propyl]-3-methoxy-4-(thiazol-4-ylmethoxy)benzamide Formula: C21H27N3O4S MolecularWeight: 417.52178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)NCCCN2CCCCCC2=O)OCC3=CSC=N3

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)NCCCN2CCCCCC2=O)OCC3=CSC=N3

InChI

InChI=1S/C21H27N3O4S/c1-27-19-12-16(7-8-18(19)28-13-17-14-29-15-23-17)21(26)22-9-5-11-24-10-4-2-3-6-20(24)25/h7-8,12,14-15H,2-6,9-11,13H2,1H3,(H,22,26)