5-chloranyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-propan-2-ylsulfanyl-pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-propan-2-ylsulfanyl-pyrimidine-4-carboxamide Openeye Name: 5-chloro-2-isopropylsulfanyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)pyrimidine-4-carboxamide CAS Name: 5-chloro-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-(propan-2-ylthio)-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-propan-2-ylsulfanylpyrimidine-4-carboxamide Traditional Name: 5-chloro-2-(isopropylthio)-N-(6-mesyl-1,3-benzothiazol-2-yl)pyrimidine-4-carboxamide Formula: C16H15ClN4O3S3 MolecularWeight: 442.9633

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=NC=C(C(=N1)C(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C)Cl

Isomeric SMILES

CC(C)SC1=NC=C(C(=N1)C(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C)Cl

InChI

InChI=1S/C16H15ClN4O3S3/c1-8(2)25-15-18-7-10(17)13(20-15)14(22)21-16-19-11-5-4-9(27(3,23)24)6-12(11)26-16/h4-8H,1-3H3,(H,19,21,22)