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

Systemtic Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]acetamide IUPAC Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide Traditional Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[(4-methyl-6-phenyl-pyrimidin-2-yl)thio]acetamide Formula: C21H18N4O2S2 MolecularWeight: 422.52322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)NC3=NC4=C(S3)C=C(C=C4)OC

Isomeric SMILES

CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)NC3=NC4=C(S3)C=C(C=C4)OC

InChI

InChI=1S/C21H18N4O2S2/c1-13-10-17(14-6-4-3-5-7-14)24-20(22-13)28-12-19(26)25-21-23-16-9-8-15(27-2)11-18(16)29-21/h3-11H,12H2,1-2H3,(H,23,25,26)