3-methyl-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: 3-methyl-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-methyl-N-[2-(4-methylsulfonyl-2-nitro-anilino)ethyl]-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-methyl-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-methyl-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 4-keto-N-[2-(4-mesyl-2-nitro-anilino)ethyl]-3-methyl-2-thioxo-1H-quinazoline-7-carboxamide Formula: C19H19N5O6S2 MolecularWeight: 477.51406

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(C=C(C=C2)C(=O)NCCNC3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-])NC1=S

Isomeric SMILES

CN1C(=O)C2=C(C=C(C=C2)C(=O)NCCNC3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-])NC1=S

InChI

InChI=1S/C19H19N5O6S2/c1-23-18(26)13-5-3-11(9-15(13)22-19(23)31)17(25)21-8-7-20-14-6-4-12(32(2,29)30)10-16(14)24(27)28/h3-6,9-10,20H,7-8H2,1-2H3,(H,21,25)(H,22,31)