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

Systemtic Name: 3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-5-[(3-bromanyl-4-propan-2-yloxy-phenyl)methylidene]-1,3-thiazolidine-2,4-dione Openeye Name: 3-[2-(azepan-1-yl)-2-oxo-ethyl]-5-[(3-bromo-4-isopropoxy-phenyl)methylene]thiazolidine-2,4-dione CAS Name: 3-[2-(1-azepanyl)-2-oxoethyl]-5-[(3-bromo-4-propan-2-yloxyphenyl)methylidene]thiazolidine-2,4-dione IUPAC Name: 3-[2-(azepan-1-yl)-2-oxoethyl]-5-[(3-bromo-4-propan-2-yloxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione Traditional Name: 3-[2-(azepan-1-yl)-2-keto-ethyl]-5-(3-bromo-4-isopropoxy-benzylidene)thiazolidine-2,4-quinone Formula: C21H25BrN2O4S MolecularWeight: 481.4032

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)C=C2C(=O)N(C(=O)S2)CC(=O)N3CCCCCC3)Br

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)C=C2C(=O)N(C(=O)S2)CC(=O)N3CCCCCC3)Br

InChI

InChI=1S/C21H25BrN2O4S/c1-14(2)28-17-8-7-15(11-16(17)22)12-18-20(26)24(21(27)29-18)13-19(25)23-9-5-3-4-6-10-23/h7-8,11-12,14H,3-6,9-10,13H2,1-2H3