2-[5-(4-bromophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-N-(4-butylphenyl)ethanamide

Systemtic Name: 2-[5-(4-bromophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-N-(4-butylphenyl)ethanamide Openeye Name: 2-[5-(4-bromophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-N-(4-butylphenyl)acetamide CAS Name: 2-[[5-(4-bromophenyl)-4-thieno[2,3-d]pyrimidinyl]thio]-N-(4-butylphenyl)acetamide IUPAC Name: 2-[5-(4-bromophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-N-(4-butylphenyl)acetamide Traditional Name: 2-[[5-(4-bromophenyl)thieno[2,3-d]pyrimidin-4-yl]thio]-N-(4-butylphenyl)acetamide Formula: C24H22BrN3OS2 MolecularWeight: 512.48498

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)CSC2=NC=NC3=C2C(=CS3)C4=CC=C(C=C4)Br

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)CSC2=NC=NC3=C2C(=CS3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C24H22BrN3OS2/c1-2-3-4-16-5-11-19(12-6-16)28-21(29)14-31-24-22-20(13-30-23(22)26-15-27-24)17-7-9-18(25)10-8-17/h5-13,15H,2-4,14H2,1H3,(H,28,29)