N-(6-chloranyl-1,3-benzothiazol-2-yl)-3-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanyl-propanamide

Systemtic Name: N-(6-chloranyl-1,3-benzothiazol-2-yl)-3-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanyl-propanamide Openeye Name: N-(6-chloro-1,3-benzothiazol-2-yl)-3-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanyl-propanamide CAS Name: N-(6-chloro-1,3-benzothiazol-2-yl)-3-[(2-methyl-6-phenyl-4-pyrimidinyl)thio]propanamide IUPAC Name: N-(6-chloro-1,3-benzothiazol-2-yl)-3-(2-methyl-6-phenylpyrimidin-4-yl)sulfanylpropanamide Traditional Name: N-(6-chloro-1,3-benzothiazol-2-yl)-3-[(2-methyl-6-phenyl-pyrimidin-4-yl)thio]propionamide Formula: C21H17ClN4OS2 MolecularWeight: 440.96888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC(=N1)SCCC(=O)NC2=NC3=C(S2)C=C(C=C3)Cl)C4=CC=CC=C4

Isomeric SMILES

CC1=NC(=CC(=N1)SCCC(=O)NC2=NC3=C(S2)C=C(C=C3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C21H17ClN4OS2/c1-13-23-17(14-5-3-2-4-6-14)12-20(24-13)28-10-9-19(27)26-21-25-16-8-7-15(22)11-18(16)29-21/h2-8,11-12H,9-10H2,1H3,(H,25,26,27)