6-[3-(3-imidazol-1-ylpropyl)-2-(2-nitrophenyl)imino-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one

Systemtic Name: 6-[3-(3-imidazol-1-ylpropyl)-2-(2-nitrophenyl)imino-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[3-(3-imidazol-1-ylpropyl)-2-(2-nitrophenyl)imino-thiazol-4-yl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[3-[3-(1-imidazolyl)propyl]-2-(2-nitrophenyl)imino-4-thiazolyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[3-(3-imidazol-1-ylpropyl)-2-(2-nitrophenyl)imino-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[3-(3-imidazol-1-ylpropyl)-2-(2-nitrophenyl)imino-4-thiazolin-4-yl]-4H-1,4-benzoxazin-3-one Formula: C23H20N6O4S MolecularWeight: 476.5077

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NC2=C(O1)C=CC(=C2)C3=CSC(=NC4=CC=CC=C4[N+](=O)[O-])N3CCCN5C=CN=C5

Isomeric SMILES

C1C(=O)NC2=C(O1)C=CC(=C2)C3=CSC(=NC4=CC=CC=C4[N+](=O)[O-])N3CCCN5C=CN=C5

InChI

InChI=1S/C23H20N6O4S/c30-22-13-33-21-7-6-16(12-18(21)25-22)20-14-34-23(26-17-4-1-2-5-19(17)29(31)32)28(20)10-3-9-27-11-8-24-15-27/h1-2,4-8,11-12,14-15H,3,9-10,13H2,(H,25,30)