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

Systemtic Name: 4-[[4-[4-[(4-piperidin-1-ylphenyl)carbonylamino]phenyl]-1,3-thiazol-2-yl]-propan-2-yl-amino]benzoic acid Openeye Name: 4-[isopropyl-[4-[4-[[4-(1-piperidyl)benzoyl]amino]phenyl]thiazol-2-yl]amino]benzoic acid CAS Name: 4-[[4-[4-[[oxo-[4-(1-piperidinyl)phenyl]methyl]amino]phenyl]-2-thiazolyl]-propan-2-ylamino]benzoic acid IUPAC Name: 4-[[4-[4-[(4-piperidin-1-ylbenzoyl)amino]phenyl]-1,3-thiazol-2-yl]-propan-2-ylamino]benzoic acid Traditional Name: 4-[isopropyl-[4-[4-[(4-piperidinobenzoyl)amino]phenyl]thiazol-2-yl]amino]benzoic acid Formula: C31H32N4O3S MolecularWeight: 540.67578

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C1=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(C1=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/C31H32N4O3S/c1-21(2)35(27-16-10-24(11-17-27)30(37)38)31-33-28(20-39-31)22-6-12-25(13-7-22)32-29(36)23-8-14-26(15-9-23)34-18-4-3-5-19-34/h6-17,20-21H,3-5,18-19H2,1-2H3,(H,32,36)(H,37,38)