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

Systemtic Name: 1-butyl-N-(2-ethylhexyl)-2-methyl-5-(2-phenyl-1,3-thiazol-4-yl)pyrrole-3-carboxamide Openeye Name: 1-butyl-N-(2-ethylhexyl)-2-methyl-5-(2-phenylthiazol-4-yl)pyrrole-3-carboxamide CAS Name: 1-butyl-N-(2-ethylhexyl)-2-methyl-5-(2-phenyl-4-thiazolyl)-3-pyrrolecarboxamide IUPAC Name: 1-butyl-N-(2-ethylhexyl)-2-methyl-5-(2-phenyl-1,3-thiazol-4-yl)pyrrole-3-carboxamide Traditional Name: 1-butyl-N-(2-ethylhexyl)-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)CCCC)C

Isomeric SMILES

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

InChI

InChI=1S/C27H37N3OS/c1-5-8-13-21(7-3)18-28-26(31)23-17-25(30(20(23)4)16-9-6-2)24-19-32-27(29-24)22-14-11-10-12-15-22/h10-12,14-15,17,19,21H,5-9,13,16,18H2,1-4H3,(H,28,31)