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

Systemtic Name: 4-[(5E)-5-[[4-(azepan-1-yl)phenyl]methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoate Openeye Name: 4-[(5E)-5-[[4-(azepan-1-yl)phenyl]methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]butanoate CAS Name: 4-[(5E)-5-[[4-(1-azepanyl)phenyl]methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]butanoate IUPAC Name: 4-[(5E)-5-[[4-(azepan-1-yl)phenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoate Traditional Name: 4-[(5E)-5-[4-(azepan-1-yl)benzylidene]-4-keto-2-thioxo-thiazolidin-3-yl]butyrate Formula: C20H23N2O3S2- MolecularWeight: 403.53822

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O3S2/c23-18(24)6-5-13-22-19(25)17(27-20(22)26)14-15-7-9-16(10-8-15)21-11-3-1-2-4-12-21/h7-10,14H,1-6,11-13H2,(H,23,24)/p-1/b17-14+