4-[2-[3-(cyclohexylmethyl)-4-oxidanylidene-2-phenylimino-1,3-thiazolidin-5-yl]ethanoylamino]benzoic acid

Systemtic Name: 4-[2-[3-(cyclohexylmethyl)-4-oxidanylidene-2-phenylimino-1,3-thiazolidin-5-yl]ethanoylamino]benzoic acid Openeye Name: 4-[[2-[3-(cyclohexylmethyl)-4-oxo-2-phenylimino-thiazolidin-5-yl]acetyl]amino]benzoic acid CAS Name: 4-[[2-[3-(cyclohexylmethyl)-4-oxo-2-phenylimino-5-thiazolidinyl]-1-oxoethyl]amino]benzoic acid IUPAC Name: 4-[[2-[3-(cyclohexylmethyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetyl]amino]benzoic acid Traditional Name: 4-[[2-[3-(cyclohexylmethyl)-4-keto-2-phenylimino-thiazolidin-5-yl]acetyl]amino]benzoic acid Formula: C25H27N3O4S MolecularWeight: 465.56458

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CN2C(=O)C(SC2=NC3=CC=CC=C3)CC(=O)NC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1CCC(CC1)CN2C(=O)C(SC2=NC3=CC=CC=C3)CC(=O)NC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C25H27N3O4S/c29-22(26-20-13-11-18(12-14-20)24(31)32)15-21-23(30)28(16-17-7-3-1-4-8-17)25(33-21)27-19-9-5-2-6-10-19/h2,5-6,9-14,17,21H,1,3-4,7-8,15-16H2,(H,26,29)(H,31,32)