4-[4-[4-[(5-ethyl-4-phenyl-1,3-thiazol-2-yl)carbamoyl]phenyl]piperazin-1-yl]benzoic acid

Systemtic Name: 4-[4-[4-[(5-ethyl-4-phenyl-1,3-thiazol-2-yl)carbamoyl]phenyl]piperazin-1-yl]benzoic acid Openeye Name: 4-[4-[4-[(5-ethyl-4-phenyl-thiazol-2-yl)carbamoyl]phenyl]piperazin-1-yl]benzoic acid CAS Name: 4-[4-[4-[[(5-ethyl-4-phenyl-2-thiazolyl)amino]-oxomethyl]phenyl]-1-piperazinyl]benzoic acid IUPAC Name: 4-[4-[4-[(5-ethyl-4-phenyl-1,3-thiazol-2-yl)carbamoyl]phenyl]piperazin-1-yl]benzoic acid Traditional Name: 4-[4-[4-[(5-ethyl-4-phenyl-thiazol-2-yl)carbamoyl]phenyl]piperazino]benzoic acid Formula: C29H28N4O3S MolecularWeight: 512.62262

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=C(S1)NC(=O)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)C(=O)O)C5=CC=CC=C5

Isomeric SMILES

CCC1=C(N=C(S1)NC(=O)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)C(=O)O)C5=CC=CC=C5

InChI

InChI=1S/C29H28N4O3S/c1-2-25-26(20-6-4-3-5-7-20)30-29(37-25)31-27(34)21-8-12-23(13-9-21)32-16-18-33(19-17-32)24-14-10-22(11-15-24)28(35)36/h3-15H,2,16-19H2,1H3,(H,35,36)(H,30,31,34)