N-(2-ethylhexyl)-2-methyl-1-(2-methylpropyl)-5-(2-phenyl-1,3-thiazol-4-yl)pyrrole-3-carboxamide

Systemtic Name: N-(2-ethylhexyl)-2-methyl-1-(2-methylpropyl)-5-(2-phenyl-1,3-thiazol-4-yl)pyrrole-3-carboxamide Openeye Name: N-(2-ethylhexyl)-1-isobutyl-2-methyl-5-(2-phenylthiazol-4-yl)pyrrole-3-carboxamide CAS Name: N-(2-ethylhexyl)-2-methyl-1-(2-methylpropyl)-5-(2-phenyl-4-thiazolyl)-3-pyrrolecarboxamide IUPAC Name: N-(2-ethylhexyl)-2-methyl-1-(2-methylpropyl)-5-(2-phenyl-1,3-thiazol-4-yl)pyrrole-3-carboxamide Traditional Name: N-(2-ethylhexyl)-1-isobutyl-2-methyl-5-(2-phenylthiazol-4-yl)pyrrole-3-carboxamide Formula: C27H37N3OS MolecularWeight: 451.66718

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CNC(=O)C1=C(N(C(=C1)C2=CSC(=N2)C3=CC=CC=C3)CC(C)C)C

Isomeric SMILES

CCCCC(CC)CNC(=O)C1=C(N(C(=C1)C2=CSC(=N2)C3=CC=CC=C3)CC(C)C)C

InChI

InChI=1S/C27H37N3OS/c1-6-8-12-21(7-2)16-28-26(31)23-15-25(30(20(23)5)17-19(3)4)24-18-32-27(29-24)22-13-10-9-11-14-22/h9-11,13-15,18-19,21H,6-8,12,16-17H2,1-5H3,(H,28,31)