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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC1=CC=C(C=C1)C(=O)O)C2=NC(=CS2)C3=CC=C(C=C3)NC(=O)C4=CC=C(C=C4)N5CCCCC5

Isomeric SMILES

CC(C)N(CC1=CC=C(C=C1)C(=O)O)C2=NC(=CS2)C3=CC=C(C=C3)NC(=O)C4=CC=C(C=C4)N5CCCCC5

InChI

InChI=1S/C32H34N4O3S/c1-22(2)36(20-23-6-8-26(9-7-23)31(38)39)32-34-29(21-40-32)24-10-14-27(15-11-24)33-30(37)25-12-16-28(17-13-25)35-18-4-3-5-19-35/h6-17,21-22H,3-5,18-20H2,1-2H3,(H,33,37)(H,38,39)