2-[(5-cyano-4-oxidanylidene-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)ethanamide

Systemtic Name: 2-[(5-cyano-4-oxidanylidene-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)ethanamide Openeye Name: 2-[(5-cyano-4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide CAS Name: 2-[(5-cyano-4-oxo-6-phenyl-1H-pyrimidin-2-yl)thio]-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide IUPAC Name: 2-[(5-cyano-4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide Traditional Name: 2-[(5-cyano-4-keto-6-phenyl-1H-pyrimidin-2-yl)thio]-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide Formula: C21H15N5O3S2 MolecularWeight: 449.5055

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=NC(=O)C(=C(N3)C4=CC=CC=C4)C#N

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=NC(=O)C(=C(N3)C4=CC=CC=C4)C#N

InChI

InChI=1S/C21H15N5O3S2/c1-29-13-7-8-15-16(9-13)31-21(23-15)24-17(27)11-30-20-25-18(12-5-3-2-4-6-12)14(10-22)19(28)26-20/h2-9H,11H2,1H3,(H,23,24,27)(H,25,26,28)