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

Systemtic Name: [2-[ethanoyl(phenyl)amino]-1,3-thiazol-4-yl]methyl 3-nitro-4-piperidin-1-yl-benzoate Openeye Name: [2-(N-acetylanilino)thiazol-4-yl]methyl 3-nitro-4-(1-piperidyl)benzoate CAS Name: 3-nitro-4-(1-piperidinyl)benzoic acid [2-(N-acetylanilino)-4-thiazolyl]methyl ester IUPAC Name: [2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 3-nitro-4-piperidin-1-ylbenzoate Traditional Name: 3-nitro-4-piperidino-benzoic acid [2-(N-acetylanilino)thiazol-4-yl]methyl ester Formula: C24H24N4O5S MolecularWeight: 480.53616

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(C1=CC=CC=C1)C2=NC(=CS2)COC(=O)C3=CC(=C(C=C3)N4CCCCC4)[N+](=O)[O-]

Isomeric SMILES

CC(=O)N(C1=CC=CC=C1)C2=NC(=CS2)COC(=O)C3=CC(=C(C=C3)N4CCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C24H24N4O5S/c1-17(29)27(20-8-4-2-5-9-20)24-25-19(16-34-24)15-33-23(30)18-10-11-21(22(14-18)28(31)32)26-12-6-3-7-13-26/h2,4-5,8-11,14,16H,3,6-7,12-13,15H2,1H3