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

Systemtic Name: N-(6-methyl-1,3-benzothiazol-2-yl)-3-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanyl-propanamide Openeye Name: N-(6-methyl-1,3-benzothiazol-2-yl)-3-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanyl-propanamide CAS Name: N-(6-methyl-1,3-benzothiazol-2-yl)-3-[(2-methyl-6-phenyl-4-pyrimidinyl)thio]propanamide IUPAC Name: N-(6-methyl-1,3-benzothiazol-2-yl)-3-(2-methyl-6-phenylpyrimidin-4-yl)sulfanylpropanamide Traditional Name: N-(6-methyl-1,3-benzothiazol-2-yl)-3-[(2-methyl-6-phenyl-pyrimidin-4-yl)thio]propionamide Formula: C22H20N4OS2 MolecularWeight: 420.5504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)NC(=O)CCSC3=NC(=NC(=C3)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)NC(=O)CCSC3=NC(=NC(=C3)C4=CC=CC=C4)C

InChI

InChI=1S/C22H20N4OS2/c1-14-8-9-17-19(12-14)29-22(25-17)26-20(27)10-11-28-21-13-18(23-15(2)24-21)16-6-4-3-5-7-16/h3-9,12-13H,10-11H2,1-2H3,(H,25,26,27)