N-cyclohexyl-4-(2-methylsulfanyl-4-oxidanylidene-[1]benzothiolo[3,2-d]pyrimidin-3-yl)butanamide

Systemtic Name: N-cyclohexyl-4-(2-methylsulfanyl-4-oxidanylidene-[1]benzothiolo[3,2-d]pyrimidin-3-yl)butanamide Openeye Name: N-cyclohexyl-4-(2-methylsulfanyl-4-oxo-benzothiopheno[3,2-d]pyrimidin-3-yl)butanamide CAS Name: N-cyclohexyl-4-[2-(methylthio)-4-oxo-[1]benzothiolo[3,2-d]pyrimidin-3-yl]butanamide IUPAC Name: N-cyclohexyl-4-(2-methylsulfanyl-4-oxo-[1]benzothiolo[3,2-d]pyrimidin-3-yl)butanamide Traditional Name: N-cyclohexyl-4-[4-keto-2-(methylthio)benzothiopheno[3,2-d]pyrimidin-3-yl]butyramide Formula: C21H25N3O2S2 MolecularWeight: 415.5721

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(C(=O)N1CCCC(=O)NC3CCCCC3)SC4=CC=CC=C42

Isomeric SMILES

CSC1=NC2=C(C(=O)N1CCCC(=O)NC3CCCCC3)SC4=CC=CC=C42

InChI

InChI=1S/C21H25N3O2S2/c1-27-21-23-18-15-10-5-6-11-16(15)28-19(18)20(26)24(21)13-7-12-17(25)22-14-8-3-2-4-9-14/h5-6,10-11,14H,2-4,7-9,12-13H2,1H3,(H,22,25)