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

Systemtic Name: 4-[[4-[4-[[4-(4-methylpiperidin-1-yl)phenyl]carbonylamino]phenyl]-1,3-thiazol-2-yl]-propan-2-yl-amino]benzoic acid Openeye Name: 4-[isopropyl-[4-[4-[[4-(4-methyl-1-piperidyl)benzoyl]amino]phenyl]thiazol-2-yl]amino]benzoic acid CAS Name: 4-[[4-[4-[[[4-(4-methyl-1-piperidinyl)phenyl]-oxomethyl]amino]phenyl]-2-thiazolyl]-propan-2-ylamino]benzoic acid IUPAC Name: 4-[[4-[4-[[4-(4-methylpiperidin-1-yl)benzoyl]amino]phenyl]-1,3-thiazol-2-yl]-propan-2-ylamino]benzoic acid Traditional Name: 4-[isopropyl-[4-[4-[[4-(4-methylpiperidino)benzoyl]amino]phenyl]thiazol-2-yl]amino]benzoic acid Formula: C32H34N4O3S MolecularWeight: 554.70236

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)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

Isomeric SMILES

CC1CCN(CC1)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

InChI

InChI=1S/C32H34N4O3S/c1-21(2)36(28-14-8-25(9-15-28)31(38)39)32-34-29(20-40-32)23-4-10-26(11-5-23)33-30(37)24-6-12-27(13-7-24)35-18-16-22(3)17-19-35/h4-15,20-22H,16-19H2,1-3H3,(H,33,37)(H,38,39)