3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-5-[[3-bromanyl-5-ethoxy-4-(naphthalen-2-ylmethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione

Systemtic Name: 3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-5-[[3-bromanyl-5-ethoxy-4-(naphthalen-2-ylmethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione Openeye Name: 3-[2-(azepan-1-yl)-2-oxo-ethyl]-5-[[3-bromo-5-ethoxy-4-(2-naphthylmethoxy)phenyl]methylene]thiazolidine-2,4-dione CAS Name: 3-[2-(1-azepanyl)-2-oxoethyl]-5-[[3-bromo-5-ethoxy-4-(2-naphthalenylmethoxy)phenyl]methylidene]thiazolidine-2,4-dione IUPAC Name: 3-[2-(azepan-1-yl)-2-oxoethyl]-5-[[3-bromo-5-ethoxy-4-(naphthalen-2-ylmethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione Traditional Name: 3-[2-(azepan-1-yl)-2-keto-ethyl]-5-[3-bromo-5-ethoxy-4-(2-naphthylmethoxy)benzylidene]thiazolidine-2,4-quinone Formula: C31H31BrN2O5S MolecularWeight: 623.55724

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C2C(=O)N(C(=O)S2)CC(=O)N3CCCCCC3)Br)OCC4=CC5=CC=CC=C5C=C4

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C=C2C(=O)N(C(=O)S2)CC(=O)N3CCCCCC3)Br)OCC4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C31H31BrN2O5S/c1-2-38-26-17-22(16-25(32)29(26)39-20-21-11-12-23-9-5-6-10-24(23)15-21)18-27-30(36)34(31(37)40-27)19-28(35)33-13-7-3-4-8-14-33/h5-6,9-12,15-18H,2-4,7-8,13-14,19-20H2,1H3