(2-phenylazanyl-1,3-thiazol-4-yl)methyl 4-(3,5-dimethylpiperidin-1-yl)-3-nitro-benzoate

Systemtic Name: (2-phenylazanyl-1,3-thiazol-4-yl)methyl 4-(3,5-dimethylpiperidin-1-yl)-3-nitro-benzoate Openeye Name: (2-anilinothiazol-4-yl)methyl 4-(3,5-dimethyl-1-piperidyl)-3-nitro-benzoate CAS Name: 4-(3,5-dimethyl-1-piperidinyl)-3-nitrobenzoic acid (2-anilino-4-thiazolyl)methyl ester IUPAC Name: (2-anilino-1,3-thiazol-4-yl)methyl 4-(3,5-dimethylpiperidin-1-yl)-3-nitrobenzoate Traditional Name: 4-(3,5-dimethylpiperidino)-3-nitro-benzoic acid (2-anilinothiazol-4-yl)methyl ester Formula: C24H26N4O4S MolecularWeight: 466.55264

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C2=C(C=C(C=C2)C(=O)OCC3=CSC(=N3)NC4=CC=CC=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1CC(CN(C1)C2=C(C=C(C=C2)C(=O)OCC3=CSC(=N3)NC4=CC=CC=C4)[N+](=O)[O-])C

InChI

InChI=1S/C24H26N4O4S/c1-16-10-17(2)13-27(12-16)21-9-8-18(11-22(21)28(30)31)23(29)32-14-20-15-33-24(26-20)25-19-6-4-3-5-7-19/h3-9,11,15-17H,10,12-14H2,1-2H3,(H,25,26)