2-(1-butyl-4-tert-butyl-pyrrol-2-yl)-N-phenyl-ethanethioamide

Systemtic Name: 2-(1-butyl-4-tert-butyl-pyrrol-2-yl)-N-phenyl-ethanethioamide Openeye Name: 2-(1-butyl-4-tert-butyl-pyrrol-2-yl)-N-phenyl-thioacetamide CAS Name: 2-(1-butyl-4-tert-butyl-2-pyrrolyl)-N-phenylethanethioamide IUPAC Name: 2-(1-butyl-4-tert-butylpyrrol-2-yl)-N-phenylethanethioamide Traditional Name: 2-(1-butyl-4-tert-butyl-pyrrol-2-yl)-N-phenyl-thioacetamide Formula: C20H28N2S MolecularWeight: 328.51472

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=C(C=C1CC(=S)NC2=CC=CC=C2)C(C)(C)C

Isomeric SMILES

CCCCN1C=C(C=C1CC(=S)NC2=CC=CC=C2)C(C)(C)C

InChI

InChI=1S/C20H28N2S/c1-5-6-12-22-15-16(20(2,3)4)13-18(22)14-19(23)21-17-10-8-7-9-11-17/h7-11,13,15H,5-6,12,14H2,1-4H3,(H,21,23)