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

Systemtic Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-3-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanyl-propanamide Openeye Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-3-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanyl-propanamide CAS Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-3-[(2-methyl-6-phenyl-4-pyrimidinyl)thio]propanamide IUPAC Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-3-(2-methyl-6-phenylpyrimidin-4-yl)sulfanylpropanamide Traditional Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-3-[(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)SCCC(=O)NC2=NC3=C(S2)C=C(C=C3)OC)C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C22H20N4O2S2/c1-14-23-18(15-6-4-3-5-7-15)13-21(24-14)29-11-10-20(27)26-22-25-17-9-8-16(28-2)12-19(17)30-22/h3-9,12-13H,10-11H2,1-2H3,(H,25,26,27)