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

Systemtic Name: N-(6-chloranyl-1,3-benzothiazol-2-yl)-3-(6-methylpyrimidin-4-yl)sulfanyl-propanamide Openeye Name: N-(6-chloro-1,3-benzothiazol-2-yl)-3-(6-methylpyrimidin-4-yl)sulfanyl-propanamide CAS Name: N-(6-chloro-1,3-benzothiazol-2-yl)-3-[(6-methyl-4-pyrimidinyl)thio]propanamide IUPAC Name: N-(6-chloro-1,3-benzothiazol-2-yl)-3-(6-methylpyrimidin-4-yl)sulfanylpropanamide Traditional Name: N-(6-chloro-1,3-benzothiazol-2-yl)-3-[(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)SCCC(=O)NC2=NC3=C(S2)C=C(C=C3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C15H13ClN4OS2/c1-9-6-14(18-8-17-9)22-5-4-13(21)20-15-19-11-3-2-10(16)7-12(11)23-15/h2-3,6-8H,4-5H2,1H3,(H,19,20,21)