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

Systemtic Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-pyrimidin-2-ylsulfanyl-propanamide Openeye Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-pyrimidin-2-ylsulfanyl-propanamide CAS Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-(2-pyrimidinylthio)propanamide IUPAC Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-pyrimidin-2-ylsulfanylpropanamide Traditional Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-(2-pyrimidylthio)propionamide Formula: C21H18N4OS2 MolecularWeight: 406.52382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)C(C)SC4=NC=CC=N4

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)C(C)SC4=NC=CC=N4

InChI

InChI=1S/C21H18N4OS2/c1-13-4-9-17-18(12-13)28-20(25-17)15-5-7-16(8-6-15)24-19(26)14(2)27-21-22-10-3-11-23-21/h3-12,14H,1-2H3,(H,24,26)