N-(1,3-benzothiazol-2-ylmethyl)-3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanamide

Systemtic Name: N-(1,3-benzothiazol-2-ylmethyl)-3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanamide Openeye Name: N-(1,3-benzothiazol-2-ylmethyl)-3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanamide CAS Name: N-(1,3-benzothiazol-2-ylmethyl)-3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]propanamide IUPAC Name: N-(1,3-benzothiazol-2-ylmethyl)-3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanamide Traditional Name: N-(1,3-benzothiazol-2-ylmethyl)-3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]propionamide Formula: C18H20N4OS2 MolecularWeight: 372.5076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SC)C)CCC(=O)NCC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC1=C(C(=NC(=N1)SC)C)CCC(=O)NCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C18H20N4OS2/c1-11-13(12(2)21-18(20-11)24-3)8-9-16(23)19-10-17-22-14-6-4-5-7-15(14)25-17/h4-7H,8-10H2,1-3H3,(H,19,23)