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

Systemtic Name: 6-[3-(2,3-dimethylcyclohexyl)-2-(2-nitrophenyl)imino-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[3-(2,3-dimethylcyclohexyl)-2-(2-nitrophenyl)imino-thiazol-4-yl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[3-(2,3-dimethylcyclohexyl)-2-(2-nitrophenyl)imino-4-thiazolyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[3-(2,3-dimethylcyclohexyl)-2-(2-nitrophenyl)imino-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[3-(2,3-dimethylcyclohexyl)-2-(2-nitrophenyl)imino-4-thiazolin-4-yl]-4H-1,4-benzoxazin-3-one Formula: C25H26N4O4S MolecularWeight: 478.56334

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)N2C(=CSC2=NC3=CC=CC=C3[N+](=O)[O-])C4=CC5=C(C=C4)OCC(=O)N5

Isomeric SMILES

CC1CCCC(C1C)N2C(=CSC2=NC3=CC=CC=C3[N+](=O)[O-])C4=CC5=C(C=C4)OCC(=O)N5

InChI

InChI=1S/C25H26N4O4S/c1-15-6-5-9-20(16(15)2)28-22(17-10-11-23-19(12-17)26-24(30)13-33-23)14-34-25(28)27-18-7-3-4-8-21(18)29(31)32/h3-4,7-8,10-12,14-16,20H,5-6,9,13H2,1-2H3,(H,26,30)