2-(3,6-dimethyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-(7-nitro-3-oxidanylidene-4H-1,4-benzoxazin-6-yl)ethanamide

Systemtic Name: 2-(3,6-dimethyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-(7-nitro-3-oxidanylidene-4H-1,4-benzoxazin-6-yl)ethanamide Openeye Name: 2-(3,6-dimethyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(7-nitro-3-oxo-4H-1,4-benzoxazin-6-yl)acetamide CAS Name: 2-[(3,6-dimethyl-4-oxo-2-quinazolinyl)thio]-N-(7-nitro-3-oxo-4H-1,4-benzoxazin-6-yl)acetamide IUPAC Name: 2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(7-nitro-3-oxo-4H-1,4-benzoxazin-6-yl)acetamide Traditional Name: 2-[(4-keto-3,6-dimethyl-quinazolin-2-yl)thio]-N-(3-keto-7-nitro-4H-1,4-benzoxazin-6-yl)acetamide Formula: C20H17N5O6S MolecularWeight: 455.44388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N(C2=O)C)SCC(=O)NC3=C(C=C4C(=C3)NC(=O)CO4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N(C2=O)C)SCC(=O)NC3=C(C=C4C(=C3)NC(=O)CO4)[N+](=O)[O-]

InChI

InChI=1S/C20H17N5O6S/c1-10-3-4-12-11(5-10)19(28)24(2)20(23-12)32-9-18(27)21-13-6-14-16(7-15(13)25(29)30)31-8-17(26)22-14/h3-7H,8-9H2,1-2H3,(H,21,27)(H,22,26)