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

Systemtic Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanyl-ethanamide Openeye Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanyl-acetamide CAS Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-[(2-methyl-6-phenyl-4-pyrimidinyl)thio]acetamide IUPAC Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-(2-methyl-6-phenylpyrimidin-4-yl)sulfanylacetamide Traditional Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-[(2-methyl-6-phenyl-pyrimidin-4-yl)thio]acetamide Formula: C21H18N4OS2 MolecularWeight: 406.52382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=NC(=NC(=C3)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=NC(=NC(=C3)C4=CC=CC=C4)C

InChI

InChI=1S/C21H18N4OS2/c1-13-8-9-16-18(10-13)28-21(24-16)25-19(26)12-27-20-11-17(22-14(2)23-20)15-6-4-3-5-7-15/h3-11H,12H2,1-2H3,(H,24,25,26)