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

Systemtic Name: N-(1,3-benzothiazol-2-yl)-3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanamide Openeye Name: N-(1,3-benzothiazol-2-yl)-3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanamide CAS Name: N-(1,3-benzothiazol-2-yl)-3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]propanamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanamide Traditional Name: N-(1,3-benzothiazol-2-yl)-3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]propionamide Formula: C17H18N4OS2 MolecularWeight: 358.48102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SC)C)CCC(=O)NC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC1=C(C(=NC(=N1)SC)C)CCC(=O)NC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C17H18N4OS2/c1-10-12(11(2)19-16(18-10)23-3)8-9-15(22)21-17-20-13-6-4-5-7-14(13)24-17/h4-7H,8-9H2,1-3H3,(H,20,21,22)