N-(6-chloranyl-1,3-benzothiazol-2-yl)-2-(6-methylpyrimidin-4-yl)sulfanyl-butanamide

Systemtic Name: N-(6-chloranyl-1,3-benzothiazol-2-yl)-2-(6-methylpyrimidin-4-yl)sulfanyl-butanamide Openeye Name: N-(6-chloro-1,3-benzothiazol-2-yl)-2-(6-methylpyrimidin-4-yl)sulfanyl-butanamide CAS Name: N-(6-chloro-1,3-benzothiazol-2-yl)-2-[(6-methyl-4-pyrimidinyl)thio]butanamide IUPAC Name: N-(6-chloro-1,3-benzothiazol-2-yl)-2-(6-methylpyrimidin-4-yl)sulfanylbutanamide Traditional Name: N-(6-chloro-1,3-benzothiazol-2-yl)-2-[(6-methylpyrimidin-4-yl)thio]butyramide Formula: C16H15ClN4OS2 MolecularWeight: 378.8995

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NC2=C(S1)C=C(C=C2)Cl)SC3=NC=NC(=C3)C

Isomeric SMILES

CCC(C(=O)NC1=NC2=C(S1)C=C(C=C2)Cl)SC3=NC=NC(=C3)C

InChI

InChI=1S/C16H15ClN4OS2/c1-3-12(23-14-6-9(2)18-8-19-14)15(22)21-16-20-11-5-4-10(17)7-13(11)24-16/h4-8,12H,3H2,1-2H3,(H,20,21,22)