(4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)-[3-nitro-4-(4-phenylphenoxy)phenyl]methanone

Systemtic Name: (4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)-[3-nitro-4-(4-phenylphenoxy)phenyl]methanone Openeye Name: [4-methyl-2-(1-piperidyl)thiazol-5-yl]-[3-nitro-4-(4-phenylphenoxy)phenyl]methanone CAS Name: [4-methyl-2-(1-piperidinyl)-5-thiazolyl]-[3-nitro-4-(4-phenylphenoxy)phenyl]methanone IUPAC Name: (4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)-[3-nitro-4-(4-phenylphenoxy)phenyl]methanone Traditional Name: (4-methyl-2-piperidino-thiazol-5-yl)-[3-nitro-4-(4-phenylphenoxy)phenyl]methanone Formula: C28H25N3O4S MolecularWeight: 499.5808

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)N2CCCCC2)C(=O)C3=CC(=C(C=C3)OC4=CC=C(C=C4)C5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

CC1=C(SC(=N1)N2CCCCC2)C(=O)C3=CC(=C(C=C3)OC4=CC=C(C=C4)C5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C28H25N3O4S/c1-19-27(36-28(29-19)30-16-6-3-7-17-30)26(32)22-12-15-25(24(18-22)31(33)34)35-23-13-10-21(11-14-23)20-8-4-2-5-9-20/h2,4-5,8-15,18H,3,6-7,16-17H2,1H3