(5Z)-5-[[4-(azepan-1-yl)phenyl]methylidene]-3-pyridin-3-yl-2-sulfanylidene-1,3-thiazolidin-4-one

Systemtic Name: (5Z)-5-[[4-(azepan-1-yl)phenyl]methylidene]-3-pyridin-3-yl-2-sulfanylidene-1,3-thiazolidin-4-one Openeye Name: (5Z)-5-[[4-(azepan-1-yl)phenyl]methylene]-3-(3-pyridyl)-2-thioxo-thiazolidin-4-one CAS Name: (5Z)-5-[[4-(1-azepanyl)phenyl]methylidene]-3-(3-pyridinyl)-2-sulfanylidene-4-thiazolidinone IUPAC Name: (5Z)-5-[[4-(azepan-1-yl)phenyl]methylidene]-3-pyridin-3-yl-2-sulfanylidene-1,3-thiazolidin-4-one Traditional Name: (5Z)-5-[4-(azepan-1-yl)benzylidene]-3-(3-pyridyl)-2-thioxo-thiazolidin-4-one Formula: C21H21N3OS2 MolecularWeight: 395.54094

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC=C(C=C2)C=C3C(=O)N(C(=S)S3)C4=CN=CC=C4

Isomeric SMILES

C1CCCN(CC1)C2=CC=C(C=C2)/C=C\3/C(=O)N(C(=S)S3)C4=CN=CC=C4

InChI

InChI=1S/C21H21N3OS2/c25-20-19(27-21(26)24(20)18-6-5-11-22-15-18)14-16-7-9-17(10-8-16)23-12-3-1-2-4-13-23/h5-11,14-15H,1-4,12-13H2/b19-14-