4-[2-[(2-cyanophenyl)methylsulfanyl]-4-oxidanylidene-thieno[3,2-d]pyrimidin-3-yl]-N-[2-(4-sulfamoylphenyl)ethyl]butanamide

Systemtic Name: 4-[2-[(2-cyanophenyl)methylsulfanyl]-4-oxidanylidene-thieno[3,2-d]pyrimidin-3-yl]-N-[2-(4-sulfamoylphenyl)ethyl]butanamide Openeye Name: 4-[2-[(2-cyanophenyl)methylsulfanyl]-4-oxo-thieno[3,2-d]pyrimidin-3-yl]-N-[2-(4-sulfamoylphenyl)ethyl]butanamide CAS Name: 4-[2-[(2-cyanophenyl)methylthio]-4-oxo-3-thieno[3,2-d]pyrimidinyl]-N-[2-(4-sulfamoylphenyl)ethyl]butanamide IUPAC Name: 4-[2-[(2-cyanophenyl)methylsulfanyl]-4-oxothieno[3,2-d]pyrimidin-3-yl]-N-[2-(4-sulfamoylphenyl)ethyl]butanamide Traditional Name: 4-[2-[(2-cyanobenzyl)thio]-4-keto-thieno[3,2-d]pyrimidin-3-yl]-N-[2-(4-sulfamoylphenyl)ethyl]butyramide Formula: C26H25N5O4S3 MolecularWeight: 567.7028

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CSC2=NC3=C(C(=O)N2CCCC(=O)NCCC4=CC=C(C=C4)S(=O)(=O)N)SC=C3)C#N

Isomeric SMILES

C1=CC=C(C(=C1)CSC2=NC3=C(C(=O)N2CCCC(=O)NCCC4=CC=C(C=C4)S(=O)(=O)N)SC=C3)C#N

InChI

InChI=1S/C26H25N5O4S3/c27-16-19-4-1-2-5-20(19)17-37-26-30-22-12-15-36-24(22)25(33)31(26)14-3-6-23(32)29-13-11-18-7-9-21(10-8-18)38(28,34)35/h1-2,4-5,7-10,12,15H,3,6,11,13-14,17H2,(H,29,32)(H2,28,34,35)