4-[[2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]ethanoylamino]methyl]cyclohexane-1-carboxylate

Systemtic Name: 4-[[2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]ethanoylamino]methyl]cyclohexane-1-carboxylate Openeye Name: 4-[[[2-[2-(3-bromophenyl)thiazol-4-yl]acetyl]amino]methyl]cyclohexanecarboxylate CAS Name: 4-[[[2-[2-(3-bromophenyl)-4-thiazolyl]-1-oxoethyl]amino]methyl]-1-cyclohexanecarboxylate IUPAC Name: 4-[[[2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]acetyl]amino]methyl]cyclohexane-1-carboxylate Traditional Name: 4-[[[2-[2-(3-bromophenyl)thiazol-4-yl]acetyl]amino]methyl]cyclohexanecarboxylate Formula: C19H20BrN2O3S- MolecularWeight: 436.3427

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CNC(=O)CC2=CSC(=N2)C3=CC(=CC=C3)Br)C(=O)[O-]

Isomeric SMILES

C1CC(CCC1CNC(=O)CC2=CSC(=N2)C3=CC(=CC=C3)Br)C(=O)[O-]

InChI

InChI=1S/C19H21BrN2O3S/c20-15-3-1-2-14(8-15)18-22-16(11-26-18)9-17(23)21-10-12-4-6-13(7-5-12)19(24)25/h1-3,8,11-13H,4-7,9-10H2,(H,21,23)(H,24,25)/p-1