methyl 4-[2-[(3-nitro-4-piperidin-1-yl-phenyl)carbonylamino]-1,3-thiazol-4-yl]benzoate

Systemtic Name: methyl 4-[2-[(3-nitro-4-piperidin-1-yl-phenyl)carbonylamino]-1,3-thiazol-4-yl]benzoate Openeye Name: methyl 4-[2-[[3-nitro-4-(1-piperidyl)benzoyl]amino]thiazol-4-yl]benzoate CAS Name: 4-[2-[[[3-nitro-4-(1-piperidinyl)phenyl]-oxomethyl]amino]-4-thiazolyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[(3-nitro-4-piperidin-1-ylbenzoyl)amino]-1,3-thiazol-4-yl]benzoate Traditional Name: 4-[2-[(3-nitro-4-piperidino-benzoyl)amino]thiazol-4-yl]benzoic acid methyl ester Formula: C23H22N4O5S MolecularWeight: 466.50958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC(=C(C=C3)N4CCCCC4)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC(=C(C=C3)N4CCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C23H22N4O5S/c1-32-22(29)16-7-5-15(6-8-16)18-14-33-23(24-18)25-21(28)17-9-10-19(20(13-17)27(30)31)26-11-3-2-4-12-26/h5-10,13-14H,2-4,11-12H2,1H3,(H,24,25,28)