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

Systemtic Name: 5-[(5E)-5-[[4-(azepan-1-yl)phenyl]methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]pentanoate Openeye Name: 5-[(5E)-5-[[4-(azepan-1-yl)phenyl]methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]pentanoate CAS Name: 5-[(5E)-5-[[4-(1-azepanyl)phenyl]methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]pentanoate IUPAC Name: 5-[(5E)-5-[[4-(azepan-1-yl)phenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]pentanoate Traditional Name: 5-[(5E)-5-[4-(azepan-1-yl)benzylidene]-4-keto-2-thioxo-thiazolidin-3-yl]valerate Formula: C21H25N2O3S2- MolecularWeight: 417.5648

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O3S2/c24-19(25)7-3-6-14-23-20(26)18(28-21(23)27)15-16-8-10-17(11-9-16)22-12-4-1-2-5-13-22/h8-11,15H,1-7,12-14H2,(H,24,25)/p-1/b18-15+