3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-5-[[4-[(4-bromophenyl)methoxy]-3-chloranyl-5-methoxy-phenyl]methylidene]-1,3-thiazolidine-2,4-dione

Systemtic Name: 3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-5-[[4-[(4-bromophenyl)methoxy]-3-chloranyl-5-methoxy-phenyl]methylidene]-1,3-thiazolidine-2,4-dione Openeye Name: 3-[2-(azepan-1-yl)-2-oxo-ethyl]-5-[[4-[(4-bromophenyl)methoxy]-3-chloro-5-methoxy-phenyl]methylene]thiazolidine-2,4-dione CAS Name: 3-[2-(1-azepanyl)-2-oxoethyl]-5-[[4-[(4-bromophenyl)methoxy]-3-chloro-5-methoxyphenyl]methylidene]thiazolidine-2,4-dione IUPAC Name: 3-[2-(azepan-1-yl)-2-oxoethyl]-5-[[4-[(4-bromophenyl)methoxy]-3-chloro-5-methoxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione Traditional Name: 3-[2-(azepan-1-yl)-2-keto-ethyl]-5-[4-(4-bromobenzyl)oxy-3-chloro-5-methoxy-benzylidene]thiazolidine-2,4-quinone Formula: C26H26BrClN2O5S MolecularWeight: 593.91704

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=C2C(=O)N(C(=O)S2)CC(=O)N3CCCCCC3)Cl)OCC4=CC=C(C=C4)Br

Isomeric SMILES

COC1=C(C(=CC(=C1)C=C2C(=O)N(C(=O)S2)CC(=O)N3CCCCCC3)Cl)OCC4=CC=C(C=C4)Br

InChI

InChI=1S/C26H26BrClN2O5S/c1-34-21-13-18(12-20(28)24(21)35-16-17-6-8-19(27)9-7-17)14-22-25(32)30(26(33)36-22)15-23(31)29-10-4-2-3-5-11-29/h6-9,12-14H,2-5,10-11,15-16H2,1H3