N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(6-methylpyrimidin-4-yl)sulfanyl-butanamide

Systemtic Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(6-methylpyrimidin-4-yl)sulfanyl-butanamide Openeye Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(6-methylpyrimidin-4-yl)sulfanyl-butanamide CAS Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[(6-methyl-4-pyrimidinyl)thio]butanamide IUPAC Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(6-methylpyrimidin-4-yl)sulfanylbutanamide Traditional Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[(6-methylpyrimidin-4-yl)thio]butyramide Formula: C17H18N4O2S2 MolecularWeight: 374.48042

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NC2=C(S1)C=C(C=C2)OC)SC3=NC=NC(=C3)C

Isomeric SMILES

CCC(C(=O)NC1=NC2=C(S1)C=C(C=C2)OC)SC3=NC=NC(=C3)C

InChI

InChI=1S/C17H18N4O2S2/c1-4-13(24-15-7-10(2)18-9-19-15)16(22)21-17-20-12-6-5-11(23-3)8-14(12)25-17/h5-9,13H,4H2,1-3H3,(H,20,21,22)