2-[4-(2-bromophenyl)sulfanylphenyl]-N-icosyl-N-methyl-cyclopropane-1-carboxamide

Systemtic Name: 2-[4-(2-bromophenyl)sulfanylphenyl]-N-icosyl-N-methyl-cyclopropane-1-carboxamide Openeye Name: 2-[4-(2-bromophenyl)sulfanylphenyl]-N-icosyl-N-methyl-cyclopropanecarboxamide CAS Name: 2-[4-[(2-bromophenyl)thio]phenyl]-N-eicosyl-N-methyl-1-cyclopropanecarboxamide IUPAC Name: 2-[4-(2-bromophenyl)sulfanylphenyl]-N-icosyl-N-methylcyclopropane-1-carboxamide Traditional Name: N-arachyl-2-[4-[(2-bromophenyl)thio]phenyl]-N-methyl-cyclopropanecarboxamide Formula: C37H56BrNOS MolecularWeight: 642.81564

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCN(C)C(=O)C1CC1C2=CC=C(C=C2)SC3=CC=CC=C3Br

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCN(C)C(=O)C1CC1C2=CC=C(C=C2)SC3=CC=CC=C3Br

InChI

InChI=1S/C37H56BrNOS/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-29-39(2)37(40)34-30-33(34)31-25-27-32(28-26-31)41-36-24-21-20-23-35(36)38/h20-21,23-28,33-34H,3-19,22,29-30H2,1-2H3