2-[3-(4-chloranyl-3-methyl-phenyl)-4-oxidanylidene-thieno[3,2-d]pyrimidin-2-yl]sulfanyl-N-cyclohexyl-ethanamide

Systemtic Name: 2-[3-(4-chloranyl-3-methyl-phenyl)-4-oxidanylidene-thieno[3,2-d]pyrimidin-2-yl]sulfanyl-N-cyclohexyl-ethanamide Openeye Name: 2-[3-(4-chloro-3-methyl-phenyl)-4-oxo-thieno[3,2-d]pyrimidin-2-yl]sulfanyl-N-cyclohexyl-acetamide CAS Name: 2-[[3-(4-chloro-3-methylphenyl)-4-oxo-2-thieno[3,2-d]pyrimidinyl]thio]-N-cyclohexylacetamide IUPAC Name: 2-[3-(4-chloro-3-methylphenyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]sulfanyl-N-cyclohexylacetamide Traditional Name: 2-[[3-(4-chloro-3-methyl-phenyl)-4-keto-thieno[3,2-d]pyrimidin-2-yl]thio]-N-cyclohexyl-acetamide Formula: C21H22ClN3O2S2 MolecularWeight: 448.00128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2C(=O)C3=C(C=CS3)N=C2SCC(=O)NC4CCCCC4)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)N2C(=O)C3=C(C=CS3)N=C2SCC(=O)NC4CCCCC4)Cl

InChI

InChI=1S/C21H22ClN3O2S2/c1-13-11-15(7-8-16(13)22)25-20(27)19-17(9-10-28-19)24-21(25)29-12-18(26)23-14-5-3-2-4-6-14/h7-11,14H,2-6,12H2,1H3,(H,23,26)