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

Systemtic Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanyl-propanamide Openeye Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanyl-propanamide CAS Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-[(2-methyl-6-phenyl-4-pyrimidinyl)thio]propanamide IUPAC Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-(2-methyl-6-phenylpyrimidin-4-yl)sulfanylpropanamide Traditional Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-[(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)C(C)SC3=NC(=NC(=C3)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)NC(=O)C(C)SC3=NC(=NC(=C3)C4=CC=CC=C4)C

InChI

InChI=1S/C22H20N4OS2/c1-13-9-10-17-19(11-13)29-22(25-17)26-21(27)14(2)28-20-12-18(23-15(3)24-20)16-7-5-4-6-8-16/h4-12,14H,1-3H3,(H,25,26,27)