[5-[(4-methylphenyl)methylcarbamoyl]-1,3,4-thiadiazol-2-yl]methyl 2-morpholin-4-yl-5-nitro-benzoate

Systemtic Name: [5-[(4-methylphenyl)methylcarbamoyl]-1,3,4-thiadiazol-2-yl]methyl 2-morpholin-4-yl-5-nitro-benzoate Openeye Name: [5-(p-tolylmethylcarbamoyl)-1,3,4-thiadiazol-2-yl]methyl 2-morpholino-5-nitro-benzoate CAS Name: 2-(4-morpholinyl)-5-nitrobenzoic acid [5-[[(4-methylphenyl)methylamino]-oxomethyl]-1,3,4-thiadiazol-2-yl]methyl ester IUPAC Name: [5-[(4-methylphenyl)methylcarbamoyl]-1,3,4-thiadiazol-2-yl]methyl 2-morpholin-4-yl-5-nitrobenzoate Traditional Name: 2-morpholino-5-nitro-benzoic acid [5-[(4-methylbenzyl)carbamoyl]-1,3,4-thiadiazol-2-yl]methyl ester Formula: C23H23N5O6S MolecularWeight: 497.52362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C2=NN=C(S2)COC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCOCC4

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)C2=NN=C(S2)COC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCOCC4

InChI

InChI=1S/C23H23N5O6S/c1-15-2-4-16(5-3-15)13-24-21(29)22-26-25-20(35-22)14-34-23(30)18-12-17(28(31)32)6-7-19(18)27-8-10-33-11-9-27/h2-7,12H,8-11,13-14H2,1H3,(H,24,29)