2-[(5E)-5-[[4-(azepan-1-yl)phenyl]methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanoate

Systemtic Name: 2-[(5E)-5-[[4-(azepan-1-yl)phenyl]methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanoate Openeye Name: 2-[(5E)-5-[[4-(azepan-1-yl)phenyl]methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]acetate CAS Name: 2-[(5E)-5-[[4-(1-azepanyl)phenyl]methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]acetate IUPAC Name: 2-[(5E)-5-[[4-(azepan-1-yl)phenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetate Traditional Name: 2-[(5E)-5-[4-(azepan-1-yl)benzylidene]-4-keto-2-thioxo-thiazolidin-3-yl]acetate Formula: C18H19N2O3S2- MolecularWeight: 375.48506

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC=C(C=C2)C=C3C(=O)N(C(=S)S3)CC(=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=CC=C(C=C2)/C=C/3\C(=O)N(C(=S)S3)CC(=O)[O-]

InChI

InChI=1S/C18H20N2O3S2/c21-16(22)12-20-17(23)15(25-18(20)24)11-13-5-7-14(8-6-13)19-9-3-1-2-4-10-19/h5-8,11H,1-4,9-10,12H2,(H,21,22)/p-1/b15-11+