N-[4-(azepan-1-yl)phenyl]-6-(4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl)hexanamide

Systemtic Name: N-[4-(azepan-1-yl)phenyl]-6-(4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl)hexanamide Openeye Name: N-[4-(azepan-1-yl)phenyl]-6-(4-oxo-2-thioxo-thiazolidin-3-yl)hexanamide CAS Name: N-[4-(1-azepanyl)phenyl]-6-(4-oxo-2-sulfanylidene-3-thiazolidinyl)hexanamide IUPAC Name: N-[4-(azepan-1-yl)phenyl]-6-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)hexanamide Traditional Name: N-[4-(azepan-1-yl)phenyl]-6-(4-keto-2-thioxo-thiazolidin-3-yl)hexanamide Formula: C21H29N3O2S2 MolecularWeight: 419.60386

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC=C(C=C2)NC(=O)CCCCCN3C(=O)CSC3=S

Isomeric SMILES

C1CCCN(CC1)C2=CC=C(C=C2)NC(=O)CCCCCN3C(=O)CSC3=S

InChI

InChI=1S/C21H29N3O2S2/c25-19(8-4-3-7-15-24-20(26)16-28-21(24)27)22-17-9-11-18(12-10-17)23-13-5-1-2-6-14-23/h9-12H,1-8,13-16H2,(H,22,25)