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

Systemtic Name: 6-[2-(2-nitrophenyl)imino-3-(4-phenylbutan-2-yl)-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[3-(1-methyl-3-phenyl-propyl)-2-(2-nitrophenyl)imino-thiazol-4-yl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[2-(2-nitrophenyl)imino-3-(4-phenylbutan-2-yl)-4-thiazolyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[2-(2-nitrophenyl)imino-3-(4-phenylbutan-2-yl)-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[3-(1-methyl-3-phenyl-propyl)-2-(2-nitrophenyl)imino-4-thiazolin-4-yl]-4H-1,4-benzoxazin-3-one Formula: C27H24N4O4S MolecularWeight: 500.56886

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)N2C(=CSC2=NC3=CC=CC=C3[N+](=O)[O-])C4=CC5=C(C=C4)OCC(=O)N5

Isomeric SMILES

CC(CCC1=CC=CC=C1)N2C(=CSC2=NC3=CC=CC=C3[N+](=O)[O-])C4=CC5=C(C=C4)OCC(=O)N5

InChI

InChI=1S/C27H24N4O4S/c1-18(11-12-19-7-3-2-4-8-19)30-24(20-13-14-25-22(15-20)28-26(32)16-35-25)17-36-27(30)29-21-9-5-6-10-23(21)31(33)34/h2-10,13-15,17-18H,11-12,16H2,1H3,(H,28,32)