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

Systemtic Name: N-(6-chloranyl-1,3-benzothiazol-2-yl)-3-(6-phenylpyrimidin-4-yl)sulfanyl-propanamide Openeye Name: N-(6-chloro-1,3-benzothiazol-2-yl)-3-(6-phenylpyrimidin-4-yl)sulfanyl-propanamide CAS Name: N-(6-chloro-1,3-benzothiazol-2-yl)-3-[(6-phenyl-4-pyrimidinyl)thio]propanamide IUPAC Name: N-(6-chloro-1,3-benzothiazol-2-yl)-3-(6-phenylpyrimidin-4-yl)sulfanylpropanamide Traditional Name: N-(6-chloro-1,3-benzothiazol-2-yl)-3-[(6-phenylpyrimidin-4-yl)thio]propionamide Formula: C20H15ClN4OS2 MolecularWeight: 426.9423

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=NC=N2)SCCC(=O)NC3=NC4=C(S3)C=C(C=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NC=N2)SCCC(=O)NC3=NC4=C(S3)C=C(C=C4)Cl

InChI

InChI=1S/C20H15ClN4OS2/c21-14-6-7-15-17(10-14)28-20(24-15)25-18(26)8-9-27-19-11-16(22-12-23-19)13-4-2-1-3-5-13/h1-7,10-12H,8-9H2,(H,24,25,26)