2-[(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide

Systemtic Name: 2-[(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide Openeye Name: 2-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide CAS Name: 2-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)thio]-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide IUPAC Name: 2-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide Traditional Name: 2-[(4-keto-6-methyl-1H-pyrimidin-2-yl)thio]-N-(6-nitro-1,3-benzothiazol-2-yl)butyramide Formula: C16H15N5O4S2 MolecularWeight: 405.4514

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-])SC3=NC(=O)C=C(N3)C

Isomeric SMILES

CCC(C(=O)NC1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-])SC3=NC(=O)C=C(N3)C

InChI

InChI=1S/C16H15N5O4S2/c1-3-11(26-15-17-8(2)6-13(22)19-15)14(23)20-16-18-10-5-4-9(21(24)25)7-12(10)27-16/h4-7,11H,3H2,1-2H3,(H,17,19,22)(H,18,20,23)