4-[[4-[4-[[4-(3,5-dimethylpiperidin-1-yl)phenyl]carbonylamino]phenyl]-1,3-thiazol-2-yl]-propan-2-yl-amino]benzoic acid

Systemtic Name: 4-[[4-[4-[[4-(3,5-dimethylpiperidin-1-yl)phenyl]carbonylamino]phenyl]-1,3-thiazol-2-yl]-propan-2-yl-amino]benzoic acid Openeye Name: 4-[[4-[4-[[4-(3,5-dimethyl-1-piperidyl)benzoyl]amino]phenyl]thiazol-2-yl]-isopropyl-amino]benzoic acid CAS Name: 4-[[4-[4-[[[4-(3,5-dimethyl-1-piperidinyl)phenyl]-oxomethyl]amino]phenyl]-2-thiazolyl]-propan-2-ylamino]benzoic acid IUPAC Name: 4-[[4-[4-[[4-(3,5-dimethylpiperidin-1-yl)benzoyl]amino]phenyl]-1,3-thiazol-2-yl]-propan-2-ylamino]benzoic acid Traditional Name: 4-[[4-[4-[[4-(3,5-dimethylpiperidino)benzoyl]amino]phenyl]thiazol-2-yl]-isopropyl-amino]benzoic acid Formula: C33H36N4O3S MolecularWeight: 568.72894

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)C4=CSC(=N4)N(C5=CC=C(C=C5)C(=O)O)C(C)C)C

Isomeric SMILES

CC1CC(CN(C1)C2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)C4=CSC(=N4)N(C5=CC=C(C=C5)C(=O)O)C(C)C)C

InChI

InChI=1S/C33H36N4O3S/c1-21(2)37(29-15-9-26(10-16-29)32(39)40)33-35-30(20-41-33)24-5-11-27(12-6-24)34-31(38)25-7-13-28(14-8-25)36-18-22(3)17-23(4)19-36/h5-16,20-23H,17-19H2,1-4H3,(H,34,38)(H,39,40)