4-[5-[2-[(4-butylcyclohexyl)carbonylamino]-1,3-thiazol-4-yl]thiophen-2-yl]benzoic acid

Systemtic Name: 4-[5-[2-[(4-butylcyclohexyl)carbonylamino]-1,3-thiazol-4-yl]thiophen-2-yl]benzoic acid Openeye Name: 4-[5-[2-[(4-butylcyclohexanecarbonyl)amino]thiazol-4-yl]-2-thienyl]benzoic acid CAS Name: 4-[5-[2-[[(4-butylcyclohexyl)-oxomethyl]amino]-4-thiazolyl]-2-thiophenyl]benzoic acid IUPAC Name: 4-[5-[2-[(4-butylcyclohexanecarbonyl)amino]-1,3-thiazol-4-yl]thiophen-2-yl]benzoic acid Traditional Name: 4-[5-[2-[(4-butylcyclohexanecarbonyl)amino]thiazol-4-yl]-2-thienyl]benzoic acid Formula: C25H28N2O3S2 MolecularWeight: 468.63142

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCC(CC1)C(=O)NC2=NC(=CS2)C3=CC=C(S3)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CCCCC1CCC(CC1)C(=O)NC2=NC(=CS2)C3=CC=C(S3)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C25H28N2O3S2/c1-2-3-4-16-5-7-18(8-6-16)23(28)27-25-26-20(15-31-25)22-14-13-21(32-22)17-9-11-19(12-10-17)24(29)30/h9-16,18H,2-8H2,1H3,(H,29,30)(H,26,27,28)