N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanyl-butanamide

Systemtic Name: N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanyl-butanamide Openeye Name: N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanyl-butanamide CAS Name: N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-[(2-methyl-6-phenyl-4-pyrimidinyl)thio]butanamide IUPAC Name: N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(2-methyl-6-phenylpyrimidin-4-yl)sulfanylbutanamide Traditional Name: N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-[(2-methyl-6-phenyl-pyrimidin-4-yl)thio]butyramide Formula: C23H27N5OS2 MolecularWeight: 453.62338

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NN=C(S1)C2CCCCC2)SC3=NC(=NC(=C3)C4=CC=CC=C4)C

Isomeric SMILES

CCC(C(=O)NC1=NN=C(S1)C2CCCCC2)SC3=NC(=NC(=C3)C4=CC=CC=C4)C

InChI

InChI=1S/C23H27N5OS2/c1-3-19(21(29)26-23-28-27-22(31-23)17-12-8-5-9-13-17)30-20-14-18(24-15(2)25-20)16-10-6-4-7-11-16/h4,6-7,10-11,14,17,19H,3,5,8-9,12-13H2,1-2H3,(H,26,28,29)