2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(7-nitro-3-oxidanylidene-4H-1,4-benzoxazin-6-yl)ethanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2C=CN=C2SCC(=O)NC3=C(C=C4C(=C3)NC(=O)CO4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1)N2C=CN=C2SCC(=O)NC3=C(C=C4C(=C3)NC(=O)CO4)[N+](=O)[O-]

InChI

InChI=1S/C20H17N5O6S/c1-30-13-4-2-3-12(7-13)24-6-5-21-20(24)32-11-19(27)22-14-8-15-17(9-16(14)25(28)29)31-10-18(26)23-15/h2-9H,10-11H2,1H3,(H,22,27)(H,23,26)