methyl 3-[[(4-methyl-2-phenyl-1,3-thiazol-5-yl)carbonylamino]carbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[[(4-methyl-2-phenyl-1,3-thiazol-5-yl)carbonylamino]carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[[(4-methyl-2-phenyl-thiazole-5-carbonyl)amino]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[[(4-methyl-2-phenyl-5-thiazolyl)-oxomethyl]hydrazo]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[[(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)amino]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[(4-methyl-2-phenyl-thiazole-5-carbonyl)amino]carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C20H16N4O6S MolecularWeight: 440.42924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C2=CC=CC=C2)C(=O)NNC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=C(SC(=N1)C2=CC=CC=C2)C(=O)NNC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C20H16N4O6S/c1-11-16(31-19(21-11)12-6-4-3-5-7-12)18(26)23-22-17(25)13-8-14(20(27)30-2)10-15(9-13)24(28)29/h3-10H,1-2H3,(H,22,25)(H,23,26)