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

Systemtic Name: N-(6-chloranyl-1,3-benzothiazol-2-yl)-2-(6-methylpyrimidin-4-yl)sulfanyl-propanamide Openeye Name: N-(6-chloro-1,3-benzothiazol-2-yl)-2-(6-methylpyrimidin-4-yl)sulfanyl-propanamide CAS Name: N-(6-chloro-1,3-benzothiazol-2-yl)-2-[(6-methyl-4-pyrimidinyl)thio]propanamide IUPAC Name: N-(6-chloro-1,3-benzothiazol-2-yl)-2-(6-methylpyrimidin-4-yl)sulfanylpropanamide Traditional Name: N-(6-chloro-1,3-benzothiazol-2-yl)-2-[(6-methylpyrimidin-4-yl)thio]propionamide Formula: C15H13ClN4OS2 MolecularWeight: 364.87292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13ClN4OS2/c1-8-5-13(18-7-17-8)22-9(2)14(21)20-15-19-11-4-3-10(16)6-12(11)23-15/h3-7,9H,1-2H3,(H,19,20,21)