4-[2-[(2,5-dimethylphenyl)methylsulfanyl]-4-oxidanylidene-thieno[3,2-d]pyrimidin-3-yl]-N-[2-(4-sulfamoylphenyl)ethyl]butanamide

Systemtic Name: 4-[2-[(2,5-dimethylphenyl)methylsulfanyl]-4-oxidanylidene-thieno[3,2-d]pyrimidin-3-yl]-N-[2-(4-sulfamoylphenyl)ethyl]butanamide Openeye Name: 4-[2-[(2,5-dimethylphenyl)methylsulfanyl]-4-oxo-thieno[3,2-d]pyrimidin-3-yl]-N-[2-(4-sulfamoylphenyl)ethyl]butanamide CAS Name: 4-[2-[(2,5-dimethylphenyl)methylthio]-4-oxo-3-thieno[3,2-d]pyrimidinyl]-N-[2-(4-sulfamoylphenyl)ethyl]butanamide IUPAC Name: 4-[2-[(2,5-dimethylphenyl)methylsulfanyl]-4-oxothieno[3,2-d]pyrimidin-3-yl]-N-[2-(4-sulfamoylphenyl)ethyl]butanamide Traditional Name: 4-[2-[(2,5-dimethylbenzyl)thio]-4-keto-thieno[3,2-d]pyrimidin-3-yl]-N-[2-(4-sulfamoylphenyl)ethyl]butyramide Formula: C27H30N4O4S3 MolecularWeight: 570.7465

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CSC2=NC3=C(C(=O)N2CCCC(=O)NCCC4=CC=C(C=C4)S(=O)(=O)N)SC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)C)CSC2=NC3=C(C(=O)N2CCCC(=O)NCCC4=CC=C(C=C4)S(=O)(=O)N)SC=C3

InChI

InChI=1S/C27H30N4O4S3/c1-18-5-6-19(2)21(16-18)17-37-27-30-23-12-15-36-25(23)26(33)31(27)14-3-4-24(32)29-13-11-20-7-9-22(10-8-20)38(28,34)35/h5-10,12,15-16H,3-4,11,13-14,17H2,1-2H3,(H,29,32)(H2,28,34,35)