4-[2-[(6,7-dimethoxy-2-sulfanylidene-1H-quinazolin-4-yl)amino]ethyl]benzenesulfonamide

Systemtic Name: 4-[2-[(6,7-dimethoxy-2-sulfanylidene-1H-quinazolin-4-yl)amino]ethyl]benzenesulfonamide Openeye Name: 4-[2-[(6,7-dimethoxy-2-thioxo-1H-quinazolin-4-yl)amino]ethyl]benzenesulfonamide CAS Name: 4-[2-[(6,7-dimethoxy-2-sulfanylidene-1H-quinazolin-4-yl)amino]ethyl]benzenesulfonamide IUPAC Name: 4-[2-[(6,7-dimethoxy-2-sulfanylidene-1H-quinazolin-4-yl)amino]ethyl]benzenesulfonamide Traditional Name: 4-[2-[(6,7-dimethoxy-2-thioxo-1H-quinazolin-4-yl)amino]ethyl]benzenesulfonamide Formula: C18H20N4O4S2 MolecularWeight: 420.5058

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC(=S)N2)NCCC3=CC=C(C=C3)S(=O)(=O)N)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC(=S)N2)NCCC3=CC=C(C=C3)S(=O)(=O)N)OC

InChI

InChI=1S/C18H20N4O4S2/c1-25-15-9-13-14(10-16(15)26-2)21-18(27)22-17(13)20-8-7-11-3-5-12(6-4-11)28(19,23)24/h3-6,9-10H,7-8H2,1-2H3,(H2,19,23,24)(H2,20,21,22,27)