4-oxidanylidene-3-prop-2-enyl-N-[2-(4-sulfamoylphenyl)ethyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: 4-oxidanylidene-3-prop-2-enyl-N-[2-(4-sulfamoylphenyl)ethyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-allyl-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 4-oxo-3-prop-2-enyl-N-[2-(4-sulfamoylphenyl)ethyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 4-oxo-3-prop-2-enyl-N-[2-(4-sulfamoylphenyl)ethyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-allyl-4-keto-N-[2-(4-sulfamoylphenyl)ethyl]-2-thioxo-1H-quinazoline-7-carboxamide Formula: C20H20N4O4S2 MolecularWeight: 444.5272

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(C=C(C=C2)C(=O)NCCC3=CC=C(C=C3)S(=O)(=O)N)NC1=S

Isomeric SMILES

C=CCN1C(=O)C2=C(C=C(C=C2)C(=O)NCCC3=CC=C(C=C3)S(=O)(=O)N)NC1=S

InChI

InChI=1S/C20H20N4O4S2/c1-2-11-24-19(26)16-8-5-14(12-17(16)23-20(24)29)18(25)22-10-9-13-3-6-15(7-4-13)30(21,27)28/h2-8,12H,1,9-11H2,(H,22,25)(H,23,29)(H2,21,27,28)