N-(2-bromophenyl)-2-(3-cyclopentyl-5,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(2-bromophenyl)-2-(3-cyclopentyl-5,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: N-(2-bromophenyl)-2-(3-cyclopentyl-5,6-dimethyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-(2-bromophenyl)-2-[(3-cyclopentyl-5,6-dimethyl-4-oxo-2-thieno[2,3-d]pyrimidinyl)thio]acetamide IUPAC Name: N-(2-bromophenyl)-2-(3-cyclopentyl-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide Traditional Name: N-(2-bromophenyl)-2-[(3-cyclopentyl-4-keto-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)thio]acetamide Formula: C21H22BrN3O2S2 MolecularWeight: 492.45228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)NC3=CC=CC=C3Br)C4CCCC4)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)NC3=CC=CC=C3Br)C4CCCC4)C

InChI

InChI=1S/C21H22BrN3O2S2/c1-12-13(2)29-19-18(12)20(27)25(14-7-3-4-8-14)21(24-19)28-11-17(26)23-16-10-6-5-9-15(16)22/h5-6,9-10,14H,3-4,7-8,11H2,1-2H3,(H,23,26)