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

Systemtic Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(6-phenylpyrimidin-4-yl)sulfanyl-propanamide Openeye Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(6-phenylpyrimidin-4-yl)sulfanyl-propanamide CAS Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[(6-phenyl-4-pyrimidinyl)thio]propanamide IUPAC Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(6-phenylpyrimidin-4-yl)sulfanylpropanamide Traditional Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[(6-phenylpyrimidin-4-yl)thio]propionamide Formula: C21H18N4O2S2 MolecularWeight: 422.52322

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NC2=C(S1)C=C(C=C2)OC)SC3=NC=NC(=C3)C4=CC=CC=C4

Isomeric SMILES

CC(C(=O)NC1=NC2=C(S1)C=C(C=C2)OC)SC3=NC=NC(=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H18N4O2S2/c1-13(28-19-11-17(22-12-23-19)14-6-4-3-5-7-14)20(26)25-21-24-16-9-8-15(27-2)10-18(16)29-21/h3-13H,1-2H3,(H,24,25,26)