3-(cyclohexylsulfanylmethyl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide

Systemtic Name: 3-(cyclohexylsulfanylmethyl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide Openeye Name: 3-(cyclohexylsulfanylmethyl)-N-[4-(4-ethylphenyl)thiazol-2-yl]benzofuran-2-carboxamide CAS Name: 3-[(cyclohexylthio)methyl]-N-[4-(4-ethylphenyl)-2-thiazolyl]-2-benzofurancarboxamide IUPAC Name: 3-(cyclohexylsulfanylmethyl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide Traditional Name: 3-[(cyclohexylthio)methyl]-N-[4-(4-ethylphenyl)thiazol-2-yl]coumarilamide Formula: C27H28N2O2S2 MolecularWeight: 476.65342

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=C(C4=CC=CC=C4O3)CSC5CCCCC5

Isomeric SMILES

CCC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=C(C4=CC=CC=C4O3)CSC5CCCCC5

InChI

InChI=1S/C27H28N2O2S2/c1-2-18-12-14-19(15-13-18)23-17-33-27(28-23)29-26(30)25-22(16-32-20-8-4-3-5-9-20)21-10-6-7-11-24(21)31-25/h6-7,10-15,17,20H,2-5,8-9,16H2,1H3,(H,28,29,30)