N-(6-methyl-1,3-benzothiazol-2-yl)-2-(6-phenylpyrimidin-4-yl)sulfanyl-butanamide

Systemtic Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-(6-phenylpyrimidin-4-yl)sulfanyl-butanamide Openeye Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-(6-phenylpyrimidin-4-yl)sulfanyl-butanamide CAS Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-[(6-phenyl-4-pyrimidinyl)thio]butanamide IUPAC Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-(6-phenylpyrimidin-4-yl)sulfanylbutanamide Traditional Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-[(6-phenylpyrimidin-4-yl)thio]butyramide Formula: C22H20N4OS2 MolecularWeight: 420.5504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20N4OS2/c1-3-18(21(27)26-22-25-16-10-9-14(2)11-19(16)29-22)28-20-12-17(23-13-24-20)15-7-5-4-6-8-15/h4-13,18H,3H2,1-2H3,(H,25,26,27)