N-(6-chloranyl-1,3-benzothiazol-2-yl)-2-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanyl-butanamide

Systemtic Name: N-(6-chloranyl-1,3-benzothiazol-2-yl)-2-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanyl-butanamide Openeye Name: N-(6-chloro-1,3-benzothiazol-2-yl)-2-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanyl-butanamide CAS Name: N-(6-chloro-1,3-benzothiazol-2-yl)-2-[(2-methyl-6-phenyl-4-pyrimidinyl)thio]butanamide IUPAC Name: N-(6-chloro-1,3-benzothiazol-2-yl)-2-(2-methyl-6-phenylpyrimidin-4-yl)sulfanylbutanamide Traditional Name: N-(6-chloro-1,3-benzothiazol-2-yl)-2-[(2-methyl-6-phenyl-pyrimidin-4-yl)thio]butyramide Formula: C22H19ClN4OS2 MolecularWeight: 454.99546

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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)C4=CC=CC=C4)C

Isomeric SMILES

CCC(C(=O)NC1=NC2=C(S1)C=C(C=C2)Cl)SC3=NC(=NC(=C3)C4=CC=CC=C4)C

InChI

InChI=1S/C22H19ClN4OS2/c1-3-18(21(28)27-22-26-16-10-9-15(23)11-19(16)30-22)29-20-12-17(24-13(2)25-20)14-7-5-4-6-8-14/h4-12,18H,3H2,1-2H3,(H,26,27,28)