N-(2-tert-butylphenyl)-2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-benzamide

Systemtic Name: N-(2-tert-butylphenyl)-2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-benzamide Openeye Name: N-(2-tert-butylphenyl)-2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-benzamide CAS Name: N-(2-tert-butylphenyl)-2-[(5-phenyl-4-thieno[2,3-d]pyrimidinyl)thio]benzamide IUPAC Name: N-(2-tert-butylphenyl)-2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylbenzamide Traditional Name: N-(2-tert-butylphenyl)-2-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)thio]benzamide Formula: C29H25N3OS2 MolecularWeight: 495.6583

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=CC=C1NC(=O)C2=CC=CC=C2SC3=NC=NC4=C3C(=CS4)C5=CC=CC=C5

Isomeric SMILES

CC(C)(C)C1=CC=CC=C1NC(=O)C2=CC=CC=C2SC3=NC=NC4=C3C(=CS4)C5=CC=CC=C5

InChI

InChI=1S/C29H25N3OS2/c1-29(2,3)22-14-8-9-15-23(22)32-26(33)20-13-7-10-16-24(20)35-28-25-21(19-11-5-4-6-12-19)17-34-27(25)30-18-31-28/h4-18H,1-3H3,(H,32,33)