2-(5-cyclopropyl-4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(3-sulfamoylphenyl)ethanamide

Systemtic Name: 2-(5-cyclopropyl-4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(3-sulfamoylphenyl)ethanamide Openeye Name: 2-(3-allyl-5-cyclopropyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(3-sulfamoylphenyl)acetamide CAS Name: 2-[(5-cyclopropyl-4-oxo-3-prop-2-enyl-2-thieno[2,3-d]pyrimidinyl)thio]-N-(3-sulfamoylphenyl)acetamide IUPAC Name: 2-(5-cyclopropyl-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(3-sulfamoylphenyl)acetamide Traditional Name: 2-[(3-allyl-5-cyclopropyl-4-keto-thieno[2,3-d]pyrimidin-2-yl)thio]-N-(3-sulfamoylphenyl)acetamide Formula: C20H20N4O4S3 MolecularWeight: 476.5922

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(N=C1SCC(=O)NC3=CC(=CC=C3)S(=O)(=O)N)SC=C2C4CC4

Isomeric SMILES

C=CCN1C(=O)C2=C(N=C1SCC(=O)NC3=CC(=CC=C3)S(=O)(=O)N)SC=C2C4CC4

InChI

InChI=1S/C20H20N4O4S3/c1-2-8-24-19(26)17-15(12-6-7-12)10-29-18(17)23-20(24)30-11-16(25)22-13-4-3-5-14(9-13)31(21,27)28/h2-5,9-10,12H,1,6-8,11H2,(H,22,25)(H2,21,27,28)