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

Systemtic Name: 3-[(5E)-5-[[4-(azepan-1-yl)phenyl]methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoate Openeye Name: 3-[(5E)-5-[[4-(azepan-1-yl)phenyl]methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]propanoate CAS Name: 3-[(5E)-5-[[4-(1-azepanyl)phenyl]methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]propanoate IUPAC Name: 3-[(5E)-5-[[4-(azepan-1-yl)phenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoate Traditional Name: 3-[(5E)-5-[4-(azepan-1-yl)benzylidene]-4-keto-2-thioxo-thiazolidin-3-yl]propionate Formula: C19H21N2O3S2- MolecularWeight: 389.51164

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2O3S2/c22-17(23)9-12-21-18(24)16(26-19(21)25)13-14-5-7-15(8-6-14)20-10-3-1-2-4-11-20/h5-8,13H,1-4,9-12H2,(H,22,23)/p-1/b16-13+