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

Systemtic Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-3-(6-methylpyrimidin-4-yl)sulfanyl-propanamide Openeye Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-3-(6-methylpyrimidin-4-yl)sulfanyl-propanamide CAS Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-3-[(6-methyl-4-pyrimidinyl)thio]propanamide IUPAC Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-3-(6-methylpyrimidin-4-yl)sulfanylpropanamide Traditional Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-3-[(6-methylpyrimidin-4-yl)thio]propionamide Formula: C16H16N4O2S2 MolecularWeight: 360.45384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC=N1)SCCC(=O)NC2=NC3=C(S2)C=C(C=C3)OC

Isomeric SMILES

CC1=CC(=NC=N1)SCCC(=O)NC2=NC3=C(S2)C=C(C=C3)OC

InChI

InChI=1S/C16H16N4O2S2/c1-10-7-15(18-9-17-10)23-6-5-14(21)20-16-19-12-4-3-11(22-2)8-13(12)24-16/h3-4,7-9H,5-6H2,1-2H3,(H,19,20,21)