2-[3-(4-bromophenyl)-4-oxidanylidene-thieno[3,2-d]pyrimidin-2-yl]sulfanyl-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[3-(4-bromophenyl)-4-oxidanylidene-thieno[3,2-d]pyrimidin-2-yl]sulfanyl-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[3-(4-bromophenyl)-4-oxo-thieno[3,2-d]pyrimidin-2-yl]sulfanyl-acetamide CAS Name: 2-[[3-(4-bromophenyl)-4-oxo-2-thieno[3,2-d]pyrimidinyl]thio]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[3-(4-bromophenyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]sulfanylacetamide Traditional Name: N-benzyl-2-[[3-(4-bromophenyl)-4-keto-thieno[3,2-d]pyrimidin-2-yl]thio]acetamide Formula: C21H16BrN3O2S2 MolecularWeight: 486.40464

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)CSC2=NC3=C(C(=O)N2C4=CC=C(C=C4)Br)SC=C3

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)CSC2=NC3=C(C(=O)N2C4=CC=C(C=C4)Br)SC=C3

InChI

InChI=1S/C21H16BrN3O2S2/c22-15-6-8-16(9-7-15)25-20(27)19-17(10-11-28-19)24-21(25)29-13-18(26)23-12-14-4-2-1-3-5-14/h1-11H,12-13H2,(H,23,26)