N-[4-[4-(azepan-1-ylsulfonyl)phenyl]-1,3-thiazol-2-yl]-5-chloranyl-2-methylsulfanyl-pyrimidine-4-carboxamide

Systemtic Name: N-[4-[4-(azepan-1-ylsulfonyl)phenyl]-1,3-thiazol-2-yl]-5-chloranyl-2-methylsulfanyl-pyrimidine-4-carboxamide Openeye Name: N-[4-[4-(azepan-1-ylsulfonyl)phenyl]thiazol-2-yl]-5-chloro-2-methylsulfanyl-pyrimidine-4-carboxamide CAS Name: N-[4-[4-(1-azepanylsulfonyl)phenyl]-2-thiazolyl]-5-chloro-2-(methylthio)-4-pyrimidinecarboxamide IUPAC Name: N-[4-[4-(azepan-1-ylsulfonyl)phenyl]-1,3-thiazol-2-yl]-5-chloro-2-methylsulfanylpyrimidine-4-carboxamide Traditional Name: N-[4-[4-(azepan-1-ylsulfonyl)phenyl]thiazol-2-yl]-5-chloro-2-(methylthio)pyrimidine-4-carboxamide Formula: C21H22ClN5O3S3 MolecularWeight: 524.07908

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=N1)C(=O)NC2=NC(=CS2)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4)Cl

Isomeric SMILES

CSC1=NC=C(C(=N1)C(=O)NC2=NC(=CS2)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4)Cl

InChI

InChI=1S/C21H22ClN5O3S3/c1-31-20-23-12-16(22)18(25-20)19(28)26-21-24-17(13-32-21)14-6-8-15(9-7-14)33(29,30)27-10-4-2-3-5-11-27/h6-9,12-13H,2-5,10-11H2,1H3,(H,24,26,28)