N-[5-(azepan-1-ylsulfonyl)-2-chloranyl-phenyl]-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)ethanamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-chloranyl-phenyl]-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)ethanamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-chloro-phenyl]-2-(4,5-dihydrothiazol-2-ylsulfanyl)acetamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-chlorophenyl]-2-(4,5-dihydrothiazol-2-ylthio)acetamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-chlorophenyl]-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-chloro-phenyl]-2-(2-thiazolin-2-ylthio)acetamide Formula: C17H22ClN3O3S3 MolecularWeight: 448.02288

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)CSC3=NCCS3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)CSC3=NCCS3

InChI

InChI=1S/C17H22ClN3O3S3/c18-14-6-5-13(27(23,24)21-8-3-1-2-4-9-21)11-15(14)20-16(22)12-26-17-19-7-10-25-17/h5-6,11H,1-4,7-10,12H2,(H,20,22)