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

Systemtic Name: 2-[(5-cyano-4-oxidanylidene-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]butanamide Openeye Name: 2-[(5-cyano-4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]butanamide CAS Name: 2-[(5-cyano-4-oxo-6-phenyl-1H-pyrimidin-2-yl)thio]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]butanamide IUPAC Name: 2-[(5-cyano-4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]butanamide Traditional Name: 2-[(5-cyano-4-keto-6-phenyl-1H-pyrimidin-2-yl)thio]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]butyramide Formula: C29H23N5O2S2 MolecularWeight: 537.65522

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)C2=NC3=C(S2)C=C(C=C3)C)SC4=NC(=O)C(=C(N4)C5=CC=CC=C5)C#N

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)C2=NC3=C(S2)C=C(C=C3)C)SC4=NC(=O)C(=C(N4)C5=CC=CC=C5)C#N

InChI

InChI=1S/C29H23N5O2S2/c1-3-23(38-29-33-25(18-7-5-4-6-8-18)21(16-30)26(35)34-29)27(36)31-20-12-10-19(11-13-20)28-32-22-14-9-17(2)15-24(22)37-28/h4-15,23H,3H2,1-2H3,(H,31,36)(H,33,34,35)