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

Systemtic Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanyl-propanamide Openeye Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanyl-propanamide CAS Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[(2-methyl-6-phenyl-4-pyrimidinyl)thio]propanamide IUPAC Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(2-methyl-6-phenylpyrimidin-4-yl)sulfanylpropanamide Traditional Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[(2-methyl-6-phenyl-pyrimidin-4-yl)thio]propionamide Formula: C22H20N4O2S2 MolecularWeight: 436.5498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC(=N1)SC(C)C(=O)NC2=NC3=C(S2)C=C(C=C3)OC)C4=CC=CC=C4

Isomeric SMILES

CC1=NC(=CC(=N1)SC(C)C(=O)NC2=NC3=C(S2)C=C(C=C3)OC)C4=CC=CC=C4

InChI

InChI=1S/C22H20N4O2S2/c1-13(21(27)26-22-25-17-10-9-16(28-3)11-19(17)30-22)29-20-12-18(23-14(2)24-20)15-7-5-4-6-8-15/h4-13H,1-3H3,(H,25,26,27)