3-azanyl-4,6-dimethyl-5-(phenylmethyl)-N-(2-phenylsulfanylphenyl)thieno[2,3-b]pyridine-2-carboxamide

Systemtic Name: 3-azanyl-4,6-dimethyl-5-(phenylmethyl)-N-(2-phenylsulfanylphenyl)thieno[2,3-b]pyridine-2-carboxamide Openeye Name: 3-amino-5-benzyl-4,6-dimethyl-N-(2-phenylsulfanylphenyl)thieno[2,3-b]pyridine-2-carboxamide CAS Name: 3-amino-4,6-dimethyl-5-(phenylmethyl)-N-[2-(phenylthio)phenyl]-2-thieno[2,3-b]pyridinecarboxamide IUPAC Name: 3-amino-5-benzyl-4,6-dimethyl-N-(2-phenylsulfanylphenyl)thieno[2,3-b]pyridine-2-carboxamide Traditional Name: 3-amino-5-benzyl-4,6-dimethyl-N-[2-(phenylthio)phenyl]thieno[2,3-b]pyridine-2-carboxamide Formula: C29H25N3OS2 MolecularWeight: 495.6583

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(SC2=NC(=C1CC3=CC=CC=C3)C)C(=O)NC4=CC=CC=C4SC5=CC=CC=C5)N

Isomeric SMILES

CC1=C2C(=C(SC2=NC(=C1CC3=CC=CC=C3)C)C(=O)NC4=CC=CC=C4SC5=CC=CC=C5)N

InChI

InChI=1S/C29H25N3OS2/c1-18-22(17-20-11-5-3-6-12-20)19(2)31-29-25(18)26(30)27(35-29)28(33)32-23-15-9-10-16-24(23)34-21-13-7-4-8-14-21/h3-16H,17,30H2,1-2H3,(H,32,33)